6EYO
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![BU of 6eyo by Molmil](/molmil-images/mine/6eyo) | Structure of extended IgE-Fc in complex with two anti-IgE Fabs | Descriptor: | 8D6 Fab heavy chain, 8D6 Fab light chain, Immunoglobulin heavy constant epsilon, ... | Authors: | Chen, J.B, Ramadani, F, Pang, M.O.Y, Beavil, R.L, Holdom, M.D, Mitropoulou, A.N, Beavil, A.J, Gould, H.J, Chang, T.W, Sutton, B.J, McDonnell, J.M, Davies, A.M. | Deposit date: | 2017-11-13 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Structural basis for selective inhibition of immunoglobulin E-receptor interactions by an anti-IgE antibody. Sci Rep, 8, 2018
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6PFI
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![BU of 6pfi by Molmil](/molmil-images/mine/6pfi) | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 3-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-(carboxymethyl)benzoic acid. | Descriptor: | 3-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-(carboxymethyl)benzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Czyzyk, D.J, Anderson, K.S, Jorgensen, W.L, Valhondo, M. | Deposit date: | 2019-06-21 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
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7T2X
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![BU of 7t2x by Molmil](/molmil-images/mine/7t2x) | Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 2-chloro-4-((4-hydroxybenzyl)amino)-5-phenylthieno[2,3-d]pyrimidin-6-ol and GRIP Peptide | Descriptor: | Estrogen receptor, Nuclear receptor coactivator 2, S-(2-chloro-6-{[(4-hydroxyphenyl)methyl]amino}pyrimidin-4-yl) phenylethanethioate | Authors: | Joiner, C, Sammeta, V.K.R, Norris, J.D, McDonnell, D.P, Wilson, T.M, Fanning, S.W. | Deposit date: | 2021-12-06 | Release date: | 2022-06-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A New Chemotype of Chemically Tractable Nonsteroidal Estrogens Based on a Thieno[2,3- d ]pyrimidine Core. Acs Med.Chem.Lett., 13, 2022
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5MN2
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![BU of 5mn2 by Molmil](/molmil-images/mine/5mn2) | Cocrystal structure of Fc gamma receptor IIIa interacting with Affimer G3, a specific binding protein which blocks IgG binding to the receptor. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Affimer G3, DI(HYDROXYETHYL)ETHER, ... | Authors: | Robinson, J.I, Owen, R.L, Tomlinson, D.C, Baxter, E.W, Nettleship, J.E, Waterhouse, M.P, Harris, S.A, Owens, R.J, McPherson, M.J, Morgan, A.W, Tiede, C, Goldman, A, Thomsen, M. | Deposit date: | 2016-12-12 | Release date: | 2017-12-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Affimer proteins inhibit immune complex binding to Fc gamma RIIIa with high specificity through competitive and allosteric modes of action. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5MND
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![BU of 5mnd by Molmil](/molmil-images/mine/5mnd) | |
6YAT
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![BU of 6yat by Molmil](/molmil-images/mine/6yat) | Crystal structure of STK4 (MST1) in complex with compound 6 | Descriptor: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 4-[5-(3-chlorophenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine, GLYCEROL, ... | Authors: | Chaikuad, A, Bata, N, Limpert, A.S, Lambert, L.J, Bakas, N.A, Cosford, N.D.P, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-03-13 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Inhibitors of the Hippo Pathway Kinases STK3/MST2 and STK4/MST1 Have Utility for the Treatment of Acute Myeloid Leukemia. J.Med.Chem., 65, 2022
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6SGF
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![BU of 6sgf by Molmil](/molmil-images/mine/6sgf) | Molecular insight into a new low affinity xylan binding module CBM86, from the xylanolytic gut symbiont Roseburia intestinalis. | Descriptor: | Beta-xylanase, CADMIUM ION, CHLORIDE ION, ... | Authors: | Ejby, M, Abou Hachem, M, Leth, M.L, Guskov, A, Slotboom, D. | Deposit date: | 2019-08-04 | Release date: | 2019-11-20 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.756 Å) | Cite: | Molecular insight into a new low-affinity xylan binding module from the xylanolytic gut symbiont Roseburia intestinalis. Febs J., 287, 2020
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7YMV
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![BU of 7ymv by Molmil](/molmil-images/mine/7ymv) | Cryo-EM structure of MERS-CoV spike protein, Two RBD-up conformation 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hsu, S.T.D, Chang, N.E, Weng, Z.W, Yang, T.J, Draczkowski, P. | Deposit date: | 2022-07-29 | Release date: | 2023-08-09 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (6.74 Å) | Cite: | Rapid simulation of glycoprotein structures by grafting and steric exclusion of glycan conformer libraries. Cell, 187, 2024
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7YMW
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![BU of 7ymw by Molmil](/molmil-images/mine/7ymw) | Cryo-EM structure of MERS-CoV spike protein, One RBD-up conformation 4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Hsu, S.T.D, Chang, N.E, Weng, Z.W, Yang, T.J, Draczkowski, P. | Deposit date: | 2022-07-29 | Release date: | 2023-08-09 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (6.05 Å) | Cite: | Rapid simulation of glycoprotein structures by grafting and steric exclusion of glycan conformer libraries. Cell, 187, 2024
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7YMX
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![BU of 7ymx by Molmil](/molmil-images/mine/7ymx) | Cryo-EM structure of MERS-CoV spike protein, One RBD-up conformation 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Hsu, S.T.D, Chang, N.E, Weng, Z.W, Yang, T.J, Draczkowski, P. | Deposit date: | 2022-07-29 | Release date: | 2023-08-09 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (4.44 Å) | Cite: | Rapid simulation of glycoprotein structures by grafting and steric exclusion of glycan conformer libraries. Cell, 187, 2024
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7YMZ
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![BU of 7ymz by Molmil](/molmil-images/mine/7ymz) | Cryo-EM structure of MERS-CoV spike protein, intermediate conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Hsu, S.T.D, Chang, N.E, Weng, Z.W, Yang, T.J, Draczkowski, P. | Deposit date: | 2022-07-29 | Release date: | 2023-08-09 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (4.39 Å) | Cite: | Rapid simulation of glycoprotein structures by grafting and steric exclusion of glycan conformer libraries. Cell, 187, 2024
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6P1P
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![BU of 6p1p by Molmil](/molmil-images/mine/6p1p) | Pre-catalytic ternary complex of human DNA Polymerase Mu with 1-nt gapped substrate containing template 8OG and bound incoming dCMPNPP | Descriptor: | 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A. | Deposit date: | 2019-05-20 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine. Nucleic Acids Res., 47, 2019
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7YMY
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![BU of 7ymy by Molmil](/molmil-images/mine/7ymy) | Cryo-EM structure of MERS-CoV spike protein, One RBD-up conformation 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Hsu, S.T.D, Chang, N.E, Weng, Z.W, Yang, T.J, Draczkowski, P. | Deposit date: | 2022-07-29 | Release date: | 2023-08-09 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (4.96 Å) | Cite: | Rapid simulation of glycoprotein structures by grafting and steric exclusion of glycan conformer libraries. Cell, 187, 2024
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6P1V
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![BU of 6p1v by Molmil](/molmil-images/mine/6p1v) | Pre-catalytic ternary complex of human DNA Polymerase Mu with 1-nt gapped substrate containing undamaged template dG and bound incoming dCMPNPP | Descriptor: | 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A. | Deposit date: | 2019-05-20 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine. Nucleic Acids Res., 47, 2019
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7YMT
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![BU of 7ymt by Molmil](/molmil-images/mine/7ymt) | Cryo-EM structure of MERS-CoV spike protein, Two RBD-up conformation 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Hsu, S.T.D, Chang, N.E, Weng, Z.W, Yang, T.J, Draczkowski, P. | Deposit date: | 2022-07-29 | Release date: | 2023-08-09 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (6.55 Å) | Cite: | Rapid simulation of glycoprotein structures by grafting and steric exclusion of glycan conformer libraries. Cell, 187, 2024
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7YN0
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![BU of 7yn0 by Molmil](/molmil-images/mine/7yn0) | Cryo-EM structure of MERS-CoV spike protein, all RBD-down conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hsu, S.T.D, Chang, N.E, Weng, Z.W, Yang, T.J, Draczkowski, P. | Deposit date: | 2022-07-29 | Release date: | 2023-08-09 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Rapid simulation of glycoprotein structures by grafting and steric exclusion of glycan conformer libraries. Cell, 187, 2024
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6YRP
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![BU of 6yrp by Molmil](/molmil-images/mine/6yrp) | Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with JMV-4690 (Cpd 31) | Descriptor: | 1,2-ETHANEDIOL, 2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid, ACETATE ION, ... | Authors: | Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S. | Deposit date: | 2020-04-20 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 4-Amino-1,2,4-triazole-3-thione-derived Schiff bases as metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 208, 2020
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7QU0
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![BU of 7qu0 by Molmil](/molmil-images/mine/7qu0) | X-ray structure of FAD domain of NqrF of Klebsiella pneumoniae | Descriptor: | DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, Na(+)-translocating NADH-quinone reductase subunit F, ... | Authors: | Stegmann, D, Steuber, J, Fritz, G. | Deposit date: | 2022-01-17 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Fast fragment- and compound-screening pipeline at the Swiss Light Source. Acta Crystallogr D Struct Biol, 78, 2022
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6PF4
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![BU of 6pf4 by Molmil](/molmil-images/mine/6pf4) | Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)acetic acid | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase, [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]acetic acid | Authors: | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2019-06-21 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.854 Å) | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
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6PFE
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![BU of 6pfe by Molmil](/molmil-images/mine/6pfe) | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-methoxybenzoic acid. | Descriptor: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxybenzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2019-06-21 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.812 Å) | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
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6YCZ
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![BU of 6ycz by Molmil](/molmil-images/mine/6ycz) | Plasmodium falciparum Myosin A delta-Nter, Post-Rigor state | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Moussaoui, D, Robblee, J.P, Auguin, D, Krementsova, E.B, Robert-Paganin, J, Trybus, K.M, Houdusse, A. | Deposit date: | 2020-03-19 | Release date: | 2020-11-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.27 Å) | Cite: | Full-length Plasmodium falciparum myosin A and essential light chain PfELC structures provide new anti-malarial targets. Elife, 9, 2020
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6UZ0
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![BU of 6uz0 by Molmil](/molmil-images/mine/6uz0) | Cardiac sodium channel with flecainide | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Jiang, D, Shi, H, Tonggu, L, Lenaeus, M.J, Zheng, N, Catterall, W.A. | Deposit date: | 2019-11-14 | Release date: | 2020-01-01 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | Structure of the Cardiac Sodium Channel. Cell, 180, 2020
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6F1C
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![BU of 6f1c by Molmil](/molmil-images/mine/6f1c) | C1rC1s complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement C1r subcomponent, ... | Authors: | Almitairi, J.O.M, Venkatraman Girija, U, Furze, C.M, Simpson-Gray, X, Badakshi, F, Marshall, J.E, Mitchell, D.A, Moody, P.C.E, Wallis, R. | Deposit date: | 2017-11-21 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Structure of the C1r-C1s interaction of the C1 complex of complement activation. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7T1J
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![BU of 7t1j by Molmil](/molmil-images/mine/7t1j) | Crystal structure of RUBISCO from Rhodospirillaceae bacterium BRH_c57 | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase | Authors: | Pereira, J.H, Liu, A.K, Shih, P.M, Adams, P.D. | Deposit date: | 2021-12-02 | Release date: | 2022-09-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural plasticity enables evolution and innovation of RuBisCO assemblies. Sci Adv, 8, 2022
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6V2F
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![BU of 6v2f by Molmil](/molmil-images/mine/6v2f) | Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, GS-6207 | Descriptor: | HIV-1 capsid, N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide | Authors: | Appleby, T.C, Link, J.O, Yant, S.R, Villasenor, A.G, Somoza, J.R, Hu, E.Y, Schroeder, S.D, Cihlar, T. | Deposit date: | 2019-11-22 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Clinical targeting of HIV capsid protein with a long-acting small molecule. Nature, 584, 2020
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