7JGY
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6PRW
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6PWH
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6OH1
| IgA1 Protease G5 domain structure | Descriptor: | Immunoglobulin A1 protease | Authors: | Eisenmesser, E.Z, Chi, Y.C, Paukovich, N, Redzic, J.S, Rahkola, J.T, Janoff, E.N. | Deposit date: | 2019-04-04 | Release date: | 2020-02-26 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Streptococcus pneumoniae G5 domains bind different ligands. Protein Sci., 28, 2019
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7JGX
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7JHF
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7KQV
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7KRG
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6LXT
| Structure of post fusion core of 2019-nCoV S2 subunit | Descriptor: | Spike protein S2, TETRAETHYLENE GLYCOL, ZINC ION | Authors: | Zhu, Y, Sun, F. | Deposit date: | 2020-02-11 | Release date: | 2020-02-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Inhibition of SARS-CoV-2 (previously 2019-nCoV) infection by a highly potent pan-coronavirus fusion inhibitor targeting its spike protein that harbors a high capacity to mediate membrane fusion. Cell Res., 30, 2020
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7LXA
| T4 lysozyme mutant L99A | Descriptor: | (2-methylprop-2-en-1-yl)benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-03-03 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
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7LOG
| T4 lysozyme mutant L99A in complex with 3-butylpyridine | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-butylpyridine, BETA-MERCAPTOETHANOL, ... | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-02-10 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
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2C2T
| Human Dihydrofolate Reductase Complexed With NADPH and 2,4-Diamino-5-((7,8-dicarbaundecaboran-7-yl)methyl)-6-methylpyrimidine, a novel boron containing, nonclassical Antifolate | Descriptor: | (S)-2,4-DIAMINO-5-((7,8-DICARBAUNDECABORAN-7-YL)METHYL)-6-METHYLPYRIMIDINE, DIHYDROFOLATE REDUCTASE, GLYCEROL, ... | Authors: | leung, A.K.W, reynolds, R.C, riordan, J.M, borhani, D.W. | Deposit date: | 2005-09-30 | Release date: | 2007-04-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Novel Boron-Containing, Nonclassical Antifolates: Synthesis and Preliminary Biological and Structural Evaluation. J.Med.Chem., 50, 2007
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2BKJ
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6MXR
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6MQF
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7M96
| Bovine sigma-2 receptor bound to Z4857158944 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-({[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino}methyl)-1-methyl-3,4-dihydroquinolin-2(1H)-one, ... | Authors: | Alon, A, Kruse, A.C. | Deposit date: | 2021-03-30 | Release date: | 2021-12-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structures of the sigma 2 receptor enable docking for bioactive ligand discovery. Nature, 600, 2021
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7M95
| Bovine sigma-2 receptor bound to Z1241145220 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[1-(3-phenylpropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine, CHOLESTEROL, ... | Authors: | Alon, A, Kruse, A.C. | Deposit date: | 2021-03-30 | Release date: | 2021-12-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structures of the sigma 2 receptor enable docking for bioactive ligand discovery. Nature, 600, 2021
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7MFI
| Bovine sigma-2 receptor bound to cholesterol | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHOLESTEROL, ... | Authors: | Alon, A, Kruse, A.C. | Deposit date: | 2021-04-09 | Release date: | 2021-12-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Structures of the sigma 2 receptor enable docking for bioactive ligand discovery. Nature, 600, 2021
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7M94
| Bovine sigma-2 receptor bound to Roluperidone | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Roluperidone, Sigma intracellular receptor 2 | Authors: | Alon, A, Kruse, A.C. | Deposit date: | 2021-03-30 | Release date: | 2021-12-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structures of the sigma 2 receptor enable docking for bioactive ligand discovery. Nature, 600, 2021
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7M93
| Bovine sigma-2 receptor bound to PB28 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, PB28, Sigma intracellular receptor 2 | Authors: | Alon, A, Kruse, A.C. | Deposit date: | 2021-03-30 | Release date: | 2021-12-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Structures of the sigma 2 receptor enable docking for bioactive ligand discovery. Nature, 600, 2021
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6MY4
| Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98M,HC-G99M,LC-S30bR] | Descriptor: | 1,2-ETHANEDIOL, anti-VEGF-A Fab fragment bH1 heavy chain, anti-VEGF-A Fab fragment bH1 light chain | Authors: | Shi, R, Picard, M.-E, Manenda, M. | Deposit date: | 2018-11-01 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Binding symmetry and surface flexibility mediate antibody self-association. Mabs, 11, 2019
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6MQD
| Myotoxin II from Bothrops moojeni complexed with Rosmarinic Acid | Descriptor: | (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid, Basic phospholipase A2 homolog 2 | Authors: | Salvador, G.H.M, Fontes, M.R.M. | Deposit date: | 2018-10-09 | Release date: | 2019-03-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Search for efficient inhibitors of myotoxic activity induced by ophidian phospholipase A2-like proteins using functional, structural and bioinformatics approaches. Sci Rep, 9, 2019
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7N0R
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7N0I
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2E3E
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