5MG9
 
 | | Putative Ancestral Mamba toxin 1 (AncTx1-W28R/I38S) | | Descriptor: | 1,2-ETHANEDIOL, AncTx1-W28R/I38S, S-1,2-PROPANEDIOL, ... | | Authors: | Stura, E.A, Tepshi, L, Blanchet, G, Mourier, G, Servent, D. | | Deposit date: | 2016-11-21 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Ancestral protein resurrection and engineering opportunities of the mamba aminergic toxins.
Sci Rep, 7, 2017
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6MK9
 | | X-ray crystal structure of darunavir-resistant-P51 HIV-1 protease in complex with GRL-121 | | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease | | Authors: | Yedidi, R.S, Hayashi, H, Das, D, Mitsuya, H. | | Deposit date: | 2018-09-25 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | X-ray crystal structure of darunavir-resistant-P51 HIV-1 protease in complex with GRL-121
To Be Published
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5MJL
 | | Single-shot pink beam serial crystallography: Proteinase K | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Meents, A, Oberthuer, D, Lieske, J, Srajer, V. | | Deposit date: | 2016-12-01 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.21013784 Å) | | Cite: | Pink-beam serial crystallography.
Nat Commun, 8, 2017
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7KKL
 | | SARS-CoV-2 Spike in complex with neutralizing nanobody mNb6 | | 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: | Schoof, M.S, Faust, B.F, Saunders, R.A, Sangwan, S, Rezelj, V, Hoppe, N, Boone, M, Billesboelle, C.B, Puchades, C, Azumaya, C.M, Kratochvil, H.T, Zimanyi, M, Desphande, I, Liang, J, Dickinson, S, Nguyen, H.C, Chio, C.M, Merz, G.E, Thompson, M.C, Diwanji, D, Schaefer, K, Anand, A.A, Dobzinski, N, Zha, B.S, Simoneau, C.R, Leon, K, White, K.M, Chio, U.S, Gupta, M, Jin, M, Li, F, Liu, Y, Zhang, K, Bulkley, D, Sun, M, Smith, A.M, Rizo, A.N, Moss, F, Brilot, A.F, Pourmal, S, Trenker, R, Pospiech, T, Gupta, S, Barsi-Rhyne, B, Belyy, V, Barile-Hill, A.W, Nock, S, Liu, Y, Krogan, N.J, Ralston, C.Y, Swaney, D.L, Garcia-Sastre, A, Ott, M, Vignuzzi, M, Walter, P, Manglik, A, QCRG Structural Biology Consortium | | Deposit date: | 2020-10-27 | | Release date: | 2020-11-11 | | Last modified: | 2021-04-21 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | An ultrapotent synthetic nanobody neutralizes SARS-CoV-2 by stabilizing inactive Spike.
Science, 370, 2020
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1FEZ
 | | THE CRYSTAL STRUCTURE OF BACILLUS CEREUS PHOSPHONOACETALDEHYDE HYDROLASE COMPLEXED WITH TUNGSTATE, A PRODUCT ANALOG | | Descriptor: | MAGNESIUM ION, PHOSPHONOACETALDEHYDE HYDROLASE, TUNGSTATE(VI)ION | | Authors: | Morais, M.C, Zhang, W, Baker, A.S, Zhang, G, Dunaway-Mariano, D, Allen, K.N. | | Deposit date: | 2000-07-24 | | Release date: | 2000-10-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The crystal structure of bacillus cereus phosphonoacetaldehyde hydrolase: insight into catalysis of phosphorus bond cleavage and catalytic diversification within the HAD enzyme superfamily.
Biochemistry, 39, 2000
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7KHA
 | | Cryo-EM Structure of the Desulfovibrio vulgaris Type I-C Apo Cascade | | Descriptor: | CRISPR-associated protein, CT1133 family, CT1134 family, ... | | Authors: | O'Brien, R, Wrapp, D, Bravo, J.P.K, Schwartz, E, Taylor, D. | | Deposit date: | 2020-10-20 | | Release date: | 2020-11-11 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.13 Å) | | Cite: | Structural basis for assembly of non-canonical small subunits into type I-C Cascade.
Nat Commun, 11, 2020
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5M63
 | | Crystal structure of group B Streptococcus type III DP2 oligosaccharide bound to Fab NVS-1-19-5 | | Descriptor: | (2~{R},3~{R},4~{S},5~{S})-2-[bis(oxidanyl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol, 1,2-ETHANEDIOL, H chain of Fab NVS-1-19-5, ... | | Authors: | Carboni, F, Adamo, R, Veggi, D, Rappuoli, R, Malito, E, Margarit, I.R, Berti, F. | | Deposit date: | 2016-10-24 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Structure of a protective epitope of group B Streptococcus type III capsular polysaccharide.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1FIH
 | | N-ACETYLGALACTOSAMINE BINDING MUTANT OF MANNOSE-BINDING PROTEIN A (QPDWG-HDRPY), COMPLEX WITH N-ACETYLGALACTOSAMINE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Feinberg, H, Torgerson, D, Drickamer, K, Weis, W.I. | | Deposit date: | 2000-08-03 | | Release date: | 2000-08-23 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Mechanism of pH-dependent N-acetylgalactosamine binding by a functional mimic of the hepatocyte asialoglycoprotein receptor.
J.Biol.Chem., 275, 2000
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6MOM
 | | Crystal structure of human Interleukin-1 receptor associated Kinase 4 (IRAK 4, CID 100300) in complex with compound NCC00371481 (BSI 107591) | | Descriptor: | 1,2-ETHANEDIOL, 6-[7-methoxy-6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine, Interleukin-1 receptor-associated kinase 4 | | Authors: | Abendroth, J, Mayclin, S.J, Lorimer, D.D, Starczynowski, D, Hoyt, S, Tawa, G, Thomas, C. | | Deposit date: | 2018-10-04 | | Release date: | 2019-10-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Overcoming adaptive therapy resistance in AML by targeting immune response pathways.
Sci Transl Med, 11, 2019
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2BGG
 | | The structure of a Piwi protein from Archaeoglobus fulgidus complexed with a 16nt siRNA duplex. | | Descriptor: | 5'-R(*GP*UP*CP*GP*AP*AP*UP*UP)-3', 5'-R(*UP*UP*CP*GP*AP*CP*GP*CP)-3', MANGANESE (II) ION, ... | | Authors: | Parker, J.S, Roe, S.M, Barford, D. | | Deposit date: | 2004-12-22 | | Release date: | 2005-03-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Insights Into Mrna Recognition from a Piwi Domain-Sirna Guide Complex
Nature, 434, 2005
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8RBO
 | | Cryo-EM structure of Pyrococcus furiosus apo form RNA polymerase contracted clamp conformation | | Descriptor: | DNA-directed RNA polymerase subunit Rpo10, DNA-directed RNA polymerase subunit Rpo11, DNA-directed RNA polymerase subunit Rpo12, ... | | Authors: | Tarau, D.M, Reichelt, R, Heiss, F.B, Pilsl, M, Hausner, W, Engel, C, Grohmann, D. | | Deposit date: | 2023-12-04 | | Release date: | 2024-04-24 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | Structural basis of archaeal RNA polymerase transcription elongation and Spt4/5 recruitment.
Nucleic Acids Res., 52, 2024
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2MBG
 | | Rlip76 (gap-gbd) | | Descriptor: | RalA-binding protein 1 | | Authors: | Rajasekar, K.V, Campbell, L.J, Nietlispach, D, Owen, D, Mott, H.R. | | Deposit date: | 2013-07-30 | | Release date: | 2013-12-04 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The Structure of the RLIP76 RhoGAP-Ral Binding Domain Dyad: Fixed Position of the Domains Leads to Dual Engagement of Small G Proteins at the Membrane.
Structure, 21, 2013
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2BPA
 | | ATOMIC STRUCTURE OF SINGLE-STRANDED DNA BACTERIOPHAGE PHIX174 AND ITS FUNCTIONAL IMPLICATIONS | | Descriptor: | DNA (5'-D(*AP*AP*AP*AP*C)-3'), PROTEIN (SUBUNIT OF BACTERIOPHAGE PHIX174) | | Authors: | McKenna, R, Xia, D, Willingmann, P, Ilag, L.L, Krishnaswamy, S, Rossmann, M.G, Olson, N.H, Baker, T.S, Incardona, N.L. | | Deposit date: | 1991-12-03 | | Release date: | 1991-12-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Atomic structure of single-stranded DNA bacteriophage phi X174 and its functional implications.
Nature, 355, 1992
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5MND
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5MJP
 | | Multi-bunch pink beam serial crystallography: Phycocyanin (One chip) | | Descriptor: | C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN | | Authors: | Meents, A, Oberthuer, D, Lieske, J, Srajer, V, Sarrou, I. | | Deposit date: | 2016-12-01 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Pink-beam serial crystallography.
Nat Commun, 8, 2017
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6MKL
 | | X-ray crystal structure of darunavir-resistant-P51 HIV-1 protease in complex with GRL-142 | | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, Protease | | Authors: | Yedidi, R.S, Hayashi, H, Das, D, Mitsuya, H. | | Deposit date: | 2018-09-25 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-function analysis of darunavir-resistant-P51 HIV-1 protease in complex with GRL-142.
To Be Published
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3IPQ
 | | X-ray structure of GW3965 synthetic agonist bound to the LXR-alpha | | Descriptor: | Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, SULFATE ION, ... | | Authors: | Fradera, X, Vu, D, Nimz, O, Skene, R, Hosfield, D, Wijnands, R, Cooke, A.J, Haunso, A, King, A, Bennet, D.J, McGuire, R, Uitdehaag, J.C.M. | | Deposit date: | 2009-08-18 | | Release date: | 2010-06-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray structures of the LXRalpha LBD in its homodimeric form and implications for heterodimer signaling.
J.Mol.Biol., 399, 2010
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330D
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5MJM
 | | Single-shot pink beam serial crystallography: Phycocyanin (Five chips merged) | | Descriptor: | C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN | | Authors: | Meents, A, Oberthuer, D, Lieske, J, Srajer, V, Sarrou, I. | | Deposit date: | 2016-12-01 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.302 Å) | | Cite: | Pink-beam serial crystallography.
Nat Commun, 8, 2017
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5MUB
 | | ACC1 Fab fragment in complex with citrullinated C1 epitope of CII (CG05) | | Descriptor: | ACC1 Fab fragment heavy chain, ACC1 Fab fragment light chain, triple-helical peptide containing the citrullinated C1 epitope of collagen type II,Collagen alpha-1(II) chain,triple-helical peptide containing the citrullinated C1 epitope of collagen type II | | Authors: | Dobritzsch, D, Holmdahl, R, Ge, C. | | Deposit date: | 2017-01-13 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Anti-citrullinated protein antibodies cause arthritis by cross-reactivity to joint cartilage.
JCI Insight, 2, 2017
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5MVT
 | | Crystal structure of an A-DNA dodecamer featuring an alternating pyrimidine-purine sequence | | Descriptor: | COBALT (III) ION, DNA | | Authors: | Hardwick, J.S, Ptchelkine, D, Phillips, S.E.V, Brown, T. | | Deposit date: | 2017-01-17 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.896 Å) | | Cite: | 5-Formylcytosine does not change the global structure of DNA.
Nat. Struct. Mol. Biol., 24, 2017
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1PGG
 | | PROSTAGLANDIN H2 SYNTHASE-1 COMPLEXED WITH 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYLINDOLE-3-ACETIC ACID (IODOINDOMETHACIN), TRANS MODEL | | Descriptor: | 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-3-ACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Loll, P.J, Picot, D, Garavito, R.M. | | Deposit date: | 1995-12-02 | | Release date: | 1997-01-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (4.5 Å) | | Cite: | Synthesis and use of iodinated nonsteroidal antiinflammatory drug analogs as crystallographic probes of the prostaglandin H2 synthase cyclooxygenase active site.
Biochemistry, 35, 1996
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8RPO
 | | BFL1 in complex with a reversible covalent ligand | | Descriptor: | (~{E})-2-cyano-3-(2-dimethylphosphorylphenyl)-~{N}-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]prop-2-enamide, Bcl-2-related protein A1 | | Authors: | Hargreaves, D. | | Deposit date: | 2024-01-16 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.791 Å) | | Cite: | Identification and Evaluation of Reversible Covalent Binders to Cys55 of Bfl-1 from a DNA-Encoded Chemical Library Screen.
Acs Med.Chem.Lett., 15, 2024
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2VL1
 | | Crystal structure of beta-alanine synthase from Saccharomyces kluyveri in complex with a gly-gly peptide | | Descriptor: | BETA-ALANINE SYNTHASE, GLYCINE, ZINC ION | | Authors: | Andersen, B, Lundgren, S, Dobritzsch, D, Piskur, J. | | Deposit date: | 2008-01-07 | | Release date: | 2008-05-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A Recruited Protease is Involved in Catabolism of Pyrimidines.
J.Mol.Biol., 379, 2008
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6N3J
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