6FXN
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![BU of 6fxn by Molmil](/molmil-images/mine/6fxn) | Crystal structure of human BAFF in complex with Fab fragment of anti-BAFF antibody belimumab | Descriptor: | Tumor necrosis factor ligand superfamily member 13B, belimumab heavy chain, belimumab light chain | Authors: | Lammens, A, Maskos, K, Willen, L, Jiang, X, Schneider, P. | Deposit date: | 2018-03-09 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A loop region of BAFF controls B cell survival and regulates recognition by different inhibitors. Nat Commun, 9, 2018
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3HSA
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![BU of 3hsa by Molmil](/molmil-images/mine/3hsa) | |
3NL9
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![BU of 3nl9 by Molmil](/molmil-images/mine/3nl9) | |
3HBZ
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![BU of 3hbz by Molmil](/molmil-images/mine/3hbz) | |
3H0N
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![BU of 3h0n by Molmil](/molmil-images/mine/3h0n) | |
3H41
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![BU of 3h41 by Molmil](/molmil-images/mine/3h41) | |
4ZH3
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![BU of 4zh3 by Molmil](/molmil-images/mine/4zh3) | |
4ZH4
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![BU of 4zh4 by Molmil](/molmil-images/mine/4zh4) | Crystal structure of Escherichia coli RNA polymerase in complex with CBRP18 | Descriptor: | 5-(4-fluorophenyl)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Feng, Y, Ebright, R.H. | Deposit date: | 2015-04-24 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.993 Å) | Cite: | Structural Basis of Transcription Inhibition by CBR Hydroxamidines and CBR Pyrazoles. Structure, 23, 2015
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4ZH2
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![BU of 4zh2 by Molmil](/molmil-images/mine/4zh2) | |
6X1Z
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![BU of 6x1z by Molmil](/molmil-images/mine/6x1z) | Mre11 dimer in complex with small molecule modulator PFMJ | Descriptor: | (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, ... | Authors: | Arvai, A.S, Moiani, D, Tainer, J.A. | Deposit date: | 2020-05-19 | Release date: | 2020-06-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment- and structure-based drug discovery for developing therapeutic agents targeting the DNA Damage Response. Prog.Biophys.Mol.Biol., 163, 2021
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6X1Y
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![BU of 6x1y by Molmil](/molmil-images/mine/6x1y) | Mre11 dimer in complex with small molecule modulator PFMI | Descriptor: | (5Z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclease SbcCD subunit D | Authors: | Arvai, A.S, Moiani, D, Tainer, J.A. | Deposit date: | 2020-05-19 | Release date: | 2020-06-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Fragment- and structure-based drug discovery for developing therapeutic agents targeting the DNA Damage Response. Prog.Biophys.Mol.Biol., 163, 2021
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5VS6
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![BU of 5vs6 by Molmil](/molmil-images/mine/5vs6) | Structure of DUB complex | Descriptor: | ACETATE ION, GLYCEROL, N-[3-({4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl}methyl)-4-oxo-3,4-dihydroquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide, ... | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2017-05-11 | Release date: | 2017-12-20 | Last modified: | 2018-01-03 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7. Cell Chem Biol, 24, 2017
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5VSK
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![BU of 5vsk by Molmil](/molmil-images/mine/5vsk) | Structure of DUB complex | Descriptor: | 7-chloro-3-({4-hydroxy-1-[(3S)-3-phenylbutanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION | Authors: | Seo, H.-Y, Dhe-Paganon, S. | Deposit date: | 2017-05-11 | Release date: | 2017-12-20 | Last modified: | 2018-01-03 | Method: | X-RAY DIFFRACTION (3.33 Å) | Cite: | Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7. Cell Chem Biol, 24, 2017
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5VSB
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![BU of 5vsb by Molmil](/molmil-images/mine/5vsb) | Structure of DUB complex | Descriptor: | 7-chloro-3-{[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl}quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7 | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2017-05-11 | Release date: | 2017-12-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7. Cell Chem Biol, 24, 2017
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5CXT
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![BU of 5cxt by Molmil](/molmil-images/mine/5cxt) | |
4ZCH
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![BU of 4zch by Molmil](/molmil-images/mine/4zch) | Single-chain human APRIL-BAFF-BAFF Heterotrimer | Descriptor: | TRIS-HYDROXYMETHYL-METHYL-AMMONIUM, Tumor necrosis factor ligand superfamily member 13,Tumor necrosis factor ligand superfamily member 13B,Tumor necrosis factor ligand superfamily member 13B | Authors: | Lammens, A, Jiang, X, Maskos, K, Schneider, P. | Deposit date: | 2015-04-16 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Stoichiometry of Heteromeric BAFF and APRIL Cytokines Dictates Their Receptor Binding and Signaling Properties. J.Biol.Chem., 290, 2015
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2Y43
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![BU of 2y43 by Molmil](/molmil-images/mine/2y43) | |
6OGP
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![BU of 6ogp by Molmil](/molmil-images/mine/6ogp) | X-ray crystal structure of wild type HIV-1 protease in complex with GRL-063 | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate, 1,2-ETHANEDIOL, Protease | Authors: | Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2019-04-03 | Release date: | 2020-04-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity. Sci Rep, 10, 2020
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6OGT
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![BU of 6ogt by Molmil](/molmil-images/mine/6ogt) | X-ray crystal structure of darunavir-resistant HIV-1 protease (P51) in complex with GRL-001 | 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-fluorophenyl)-3-hydroxybutan-2-yl]carbamate, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2019-04-03 | Release date: | 2020-04-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity. Sci Rep, 10, 2020
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6OGL
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![BU of 6ogl by Molmil](/molmil-images/mine/6ogl) | X-ray crystal structure of darunavir-resistant HIV-1 protease (P51) in complex with GRL-003 | 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-(4-fluorophenyl)-3-hydroxybutan-2-yl]carbamate, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2019-04-02 | Release date: | 2020-04-08 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity. Sci Rep, 10, 2020
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6OGQ
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![BU of 6ogq by Molmil](/molmil-images/mine/6ogq) | X-ray crystal structure of darunavir-resistant HIV-1 protease (P30) in complex with GRL-003 | 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-(4-fluorophenyl)-3-hydroxybutan-2-yl]carbamate, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2019-04-03 | Release date: | 2020-04-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity. Sci Rep, 10, 2020
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6OGS
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![BU of 6ogs by Molmil](/molmil-images/mine/6ogs) | X-ray crystal structure of darunavir-resistant HIV-1 protease (P30) in complex with GRL-001 | 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-fluorophenyl)-3-hydroxybutan-2-yl]carbamate, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2019-04-03 | Release date: | 2020-04-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity. Sci Rep, 10, 2020
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6OYD
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![BU of 6oyd by Molmil](/molmil-images/mine/6oyd) | X-ray crystal structure of wild type HIV-1 protease in complex with GRL-004 | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate, Protease | Authors: | Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2019-05-14 | Release date: | 2020-05-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity. Sci Rep, 10, 2020
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4RBO
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![BU of 4rbo by Molmil](/molmil-images/mine/4rbo) | |
6OYR
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![BU of 6oyr by Molmil](/molmil-images/mine/6oyr) | X-ray crystal structure of wild type HIV-1 protease in complex with GRL-002 | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-1-(3-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate, Protease | Authors: | Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2019-05-15 | Release date: | 2020-05-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity. Sci Rep, 10, 2020
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