6P7M
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![BU of 6p7m by Molmil](/molmil-images/mine/6p7m) | Cryo-EM structure of LbCas12a-crRNA: AcrVA4 (1:2 complex) | Descriptor: | Cas12a, MAGNESIUM ION, anti-CRISPR VA4, ... | Authors: | Knott, G.J, Liu, J.J, Doudna, J.A. | Deposit date: | 2019-06-06 | Release date: | 2019-08-21 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for AcrVA4 inhibition of specific CRISPR-Cas12a. Elife, 8, 2019
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6P7N
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![BU of 6p7n by Molmil](/molmil-images/mine/6p7n) | Cryo-EM structure of LbCas12a-crRNA: AcrVA4 (2:2 complex) | Descriptor: | Cas12a, MAGNESIUM ION, anti-CRISPR VA4, ... | Authors: | Knott, G.J, Liu, J.J, Doudna, J.A. | Deposit date: | 2019-06-06 | Release date: | 2019-08-21 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | Structural basis for AcrVA4 inhibition of specific CRISPR-Cas12a. Elife, 8, 2019
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6QIX
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![BU of 6qix by Molmil](/molmil-images/mine/6qix) | The crystal structure of Trichuris muris p43 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | Authors: | Levy, C.W. | Deposit date: | 2019-01-21 | Release date: | 2019-06-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The major secreted protein of the whipworm parasite tethers to matrix and inhibits interleukin-13 function. Nat Commun, 10, 2019
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8CR8
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![BU of 8cr8 by Molmil](/molmil-images/mine/8cr8) | human Interleukin-23 | Descriptor: | Interleukin-12 subunit beta, Interleukin-23 subunit alpha, TERBIUM(III) ION, ... | Authors: | Bloch, Y, Savvides, S.N. | Deposit date: | 2023-03-08 | Release date: | 2024-02-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of complete extracellular receptor assemblies mediated by IL-12 and IL-23. Nat.Struct.Mol.Biol., 31, 2024
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8CGA
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![BU of 8cga by Molmil](/molmil-images/mine/8cga) | Structure of Mycobacterium tuberculosis dUTPase delta 133A-137S mutant | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | Authors: | Toth, Z.S, Benedek, A, Leveles, I, Vertessy, B.G. | Deposit date: | 2023-02-03 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of Mycobacterium tuberculosis dUTPase delta 133A-137S mutant To Be Published
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8D8M
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![BU of 8d8m by Molmil](/molmil-images/mine/8d8m) | |
8DAF
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![BU of 8daf by Molmil](/molmil-images/mine/8daf) | Human SF-1 LBD bound to synthetic agonist 6N-10CA and bacterial phospholipid | Descriptor: | 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor coactivator 2, ... | Authors: | D'Agostino, E.H, Cato, M.L, Ortlund, E.A. | Deposit date: | 2022-06-13 | Release date: | 2023-06-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Comparison of activity, structure, and dynamics of SF-1 and LRH-1 complexed with small molecule modulators. J.Biol.Chem., 299, 2023
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8D86
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![BU of 8d86 by Molmil](/molmil-images/mine/8d86) | Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence co-crystallized with a guest small molecule, netropsin. | Descriptor: | DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*G)-3'), MAGNESIUM ION, ... | Authors: | Orun, A.R, Snow, C.D. | Deposit date: | 2022-06-07 | Release date: | 2023-06-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds. Acs Nano, 17, 2023
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8DTA
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![BU of 8dta by Molmil](/molmil-images/mine/8dta) | |
8DSS
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![BU of 8dss by Molmil](/molmil-images/mine/8dss) | |
8ERA
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![BU of 8era by Molmil](/molmil-images/mine/8era) | RMC-5552 in complex with mTORC1 and FKBP12 | Descriptor: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1-[6-{[(3M)-4-amino-3-(2-amino-1,3-benzoxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-3-hydroxypropan-1-one, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | Authors: | Tomlinson, A.C.A, Yano, J.K. | Deposit date: | 2022-10-11 | Release date: | 2022-12-28 | Last modified: | 2023-01-25 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors. J.Med.Chem., 66, 2023
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8ERX
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![BU of 8erx by Molmil](/molmil-images/mine/8erx) | Structure of chimeric HLA-A*11:01-A*02:01 bound to HIV-1 RT peptide | Descriptor: | Beta-2-microglobulin, HIV-1 RT, HLA-A*02:01 | Authors: | Florio, T.J, Ani, O, Young, M.C, Mallik, L, Sgourakis, N.G. | Deposit date: | 2022-10-13 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Decoupling peptide binding from T cell receptor recognition with engineered chimeric MHC-I molecules. Front Immunol, 14, 2023
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8C3O
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![BU of 8c3o by Molmil](/molmil-images/mine/8c3o) | Crystal structure of autotaxin gamma and compound MEY-003 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one, 7alpha-hydroxycholesterol, ... | Authors: | Eymery, M.C, McCarthy, A.A. | Deposit date: | 2022-12-27 | Release date: | 2023-11-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids. Eur.J.Med.Chem., 263, 2023
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8F43
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![BU of 8f43 by Molmil](/molmil-images/mine/8f43) | HNH Nuclease Domain from G. stearothermophilus Cas9, K597A mutant | Descriptor: | CRISPR-associated endonuclease Cas9 | Authors: | D'Ordine, A.M, Belato, H.B, Lisi, G.P, Jogl, G. | Deposit date: | 2022-11-10 | Release date: | 2022-12-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Disruption of electrostatic contacts in the HNH nuclease from a thermophilic Cas9 rewires allosteric motions and enhances high-temperature DNA cleavage. J.Chem.Phys., 157, 2022
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8ER6
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![BU of 8er6 by Molmil](/molmil-images/mine/8er6) | FKBP12-FRB in Complex with Compound 11 | Descriptor: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1,2-ETHANEDIOL, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | Authors: | Tomlinson, A.C.A, Yano, J.K. | Deposit date: | 2022-10-11 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors. J.Med.Chem., 66, 2023
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8ER7
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![BU of 8er7 by Molmil](/molmil-images/mine/8er7) | FKBP12-FRB in Complex with Compound 12 | Descriptor: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-5,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | Authors: | Tomlinson, A.C.A, Yano, J.K. | Deposit date: | 2022-10-11 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors. J.Med.Chem., 66, 2023
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8EUO
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![BU of 8euo by Molmil](/molmil-images/mine/8euo) | Hydroxynitrile Lyase from Hevea brasiliensis with Seven Mutations | Descriptor: | (S)-hydroxynitrile lyase | Authors: | Greenberg, L.R, Walsh, M.E, Kazlauskas, R.J, Pierce, C.T, Shi, K, Aihara, H, Evans, R.L. | Deposit date: | 2022-10-19 | Release date: | 2022-11-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | to be published To Be Published
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8C4W
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![BU of 8c4w by Molmil](/molmil-images/mine/8c4w) | Crystal structure of rat autotaxin and compound MEY-002 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-[1-(phenylmethyl)indol-3-yl]chromen-4-one, 7alpha-hydroxycholesterol, ... | Authors: | Eymery, M.C, McCarthy, A.A. | Deposit date: | 2023-01-05 | Release date: | 2023-11-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids. Eur.J.Med.Chem., 263, 2023
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8C3P
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![BU of 8c3p by Molmil](/molmil-images/mine/8c3p) | |
8C7R
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![BU of 8c7r by Molmil](/molmil-images/mine/8c7r) | Crystal structure of rat autotaxin and compound MEY-003 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one, 7alpha-hydroxycholesterol, ... | Authors: | Eymery, M.C, McCarthy, A.A. | Deposit date: | 2023-01-17 | Release date: | 2023-11-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids. Eur.J.Med.Chem., 263, 2023
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8C3T
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![BU of 8c3t by Molmil](/molmil-images/mine/8c3t) | |
7PJH
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![BU of 7pjh by Molmil](/molmil-images/mine/7pjh) | Crystal structure of the human spliceosomal maturation factor AAR2 bound to the RNAse H domain of PRPF8 | Descriptor: | Pre-mRNA-processing-splicing factor 8, Protein AAR2 homolog | Authors: | Preussner, M, Santos, K, Heroven, A.C, Alles, J, Heyd, F, Wahl, M.C, Weber, G. | Deposit date: | 2021-08-24 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural and functional investigation of the human snRNP assembly factor AAR2 in complex with the RNase H-like domain of PRPF8. Acta Crystallogr D Struct Biol, 78, 2022
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7PUX
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![BU of 7pux by Molmil](/molmil-images/mine/7pux) | Structure of p97 N-D1(L198W) in complex with Fragment TROLL2 | Descriptor: | (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bothe, S, Schindelin, H. | Deposit date: | 2021-10-01 | Release date: | 2022-12-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Fragment screening using biolayer interferometry reveals ligands targeting the SHP-motif binding site of the AAA+ ATPase p97 Commun Chem, 5, 2022
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6RTE
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![BU of 6rte by Molmil](/molmil-images/mine/6rte) | Dihydro-heme d1 dehydrogenase NirN in complex with DHE | Descriptor: | (R,R)-2,3-BUTANEDIOL, Cytochrome c, HEME C | Authors: | Kluenemann, T, Preuss, A, Layer, G, Blankenfeldt, W. | Deposit date: | 2019-05-23 | Release date: | 2019-06-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystal Structure of Dihydro-Heme d1Dehydrogenase NirN from Pseudomonas aeruginosa Reveals Amino Acid Residues Essential for Catalysis. J.Mol.Biol., 431, 2019
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7QIV
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![BU of 7qiv by Molmil](/molmil-images/mine/7qiv) | Structure of human C3b in complex with the EWE nanobody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3 beta chain, Complement C3b alpha' chain, ... | Authors: | Pedersen, H, Andersen, G.R. | Deposit date: | 2021-12-16 | Release date: | 2022-02-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Guided Engineering of a Complement Component C3-Binding Nanobody Improves Specificity and Adds Cofactor Activity. Front Immunol, 13, 2022
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