8C4N
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![BU of 8c4n by Molmil](/molmil-images/mine/8c4n) | CdaA-AMP complex | Descriptor: | ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Diadenylate cyclase, ... | Authors: | Neumann, P, Ficner, R. | Deposit date: | 2023-01-04 | Release date: | 2023-06-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Computer-aided design of a cyclic di-AMP synthesizing enzyme CdaA inhibitor. Microlife, 4, 2023
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8C4Q
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![BU of 8c4q by Molmil](/molmil-images/mine/8c4q) | CdaA-Apo | Descriptor: | CHLORIDE ION, Diadenylate cyclase | Authors: | Neumann, P, Ficner, R. | Deposit date: | 2023-01-04 | Release date: | 2023-06-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Computer-aided design of a cyclic di-AMP synthesizing enzyme CdaA inhibitor. Microlife, 4, 2023
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8C4O
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![BU of 8c4o by Molmil](/molmil-images/mine/8c4o) | CdaA-ATP complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Diadenylate cyclase, ... | Authors: | Neumann, P, Ficner, R. | Deposit date: | 2023-01-04 | Release date: | 2023-06-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Computer-aided design of a cyclic di-AMP synthesizing enzyme CdaA inhibitor. Microlife, 4, 2023
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6EK5
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![BU of 6ek5 by Molmil](/molmil-images/mine/6ek5) | |
8C4R
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![BU of 8c4r by Molmil](/molmil-images/mine/8c4r) | CdaA-adenine complex | Descriptor: | ADENINE, CHLORIDE ION, Diadenylate cyclase | Authors: | Neumann, P, Ficner, R. | Deposit date: | 2023-01-04 | Release date: | 2023-06-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Computer-aided design of a cyclic di-AMP synthesizing enzyme CdaA inhibitor. Microlife, 4, 2023
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8CBR
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![BU of 8cbr by Molmil](/molmil-images/mine/8cbr) | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor BDM-2 | Descriptor: | (2S)-2-[3-cyclopropyl-2-(3,4-dihydro-2H-chromen-6-yl)-6-methyl-phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P. | Deposit date: | 2023-01-25 | Release date: | 2023-06-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase. Antimicrob.Agents Chemother., 67, 2023
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8CBU
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![BU of 8cbu by Molmil](/molmil-images/mine/8cbu) | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT884 | Descriptor: | (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxy-ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P. | Deposit date: | 2023-01-25 | Release date: | 2023-06-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase. Antimicrob.Agents Chemother., 67, 2023
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8CBV
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![BU of 8cbv by Molmil](/molmil-images/mine/8cbv) | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT916 | Descriptor: | (2~{S})-2-[3-cyclopropyl-2-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P. | Deposit date: | 2023-01-25 | Release date: | 2023-06-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase. Antimicrob.Agents Chemother., 67, 2023
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8CH6
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![BU of 8ch6 by Molmil](/molmil-images/mine/8ch6) | Structure of a late-stage activated spliceosome (BAqr) arrested with a dominant-negative Aquarius mutant (state B complex). | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, BUD13 homolog, Cell division cycle 5-like protein, ... | Authors: | Cretu, C, Schmitzova, J, Pena, V. | Deposit date: | 2023-02-07 | Release date: | 2023-05-10 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (5.9 Å) | Cite: | Structural basis of catalytic activation in human splicing. Nature, 617, 2023
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8C4M
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![BU of 8c4m by Molmil](/molmil-images/mine/8c4m) | CdaA-Adenosine complex | Descriptor: | ADENOSINE, CHLORIDE ION, Diadenylate cyclase | Authors: | Neumann, P, Ficner, R. | Deposit date: | 2023-01-04 | Release date: | 2023-06-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Computer-aided design of a cyclic di-AMP synthesizing enzyme CdaA inhibitor. Microlife, 4, 2023
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1INH
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![BU of 1inh by Molmil](/molmil-images/mine/1inh) | INFLUENZA A SUBTYPE N2 NEURAMINIDASE COMPLEXED WITH AROMATIC BANA111 INHIBITOR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID, CALCIUM ION, ... | Authors: | Jedrzejas, M.J, Luo, M. | Deposit date: | 1995-07-07 | Release date: | 1996-08-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based inhibitors of influenza virus sialidase. A benzoic acid lead with novel interaction. J.Med.Chem., 38, 1995
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8CBT
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![BU of 8cbt by Molmil](/molmil-images/mine/8cbt) | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT872 | Descriptor: | (2~{S})-2-[3-cyclopropyl-2-(3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P. | Deposit date: | 2023-01-25 | Release date: | 2023-06-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase. Antimicrob.Agents Chemother., 67, 2023
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8C4P
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![BU of 8c4p by Molmil](/molmil-images/mine/8c4p) | CdaA-compound 7 complex | Descriptor: | CHLORIDE ION, Diadenylate cyclase, ~{N}-[5-(2-azanyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]ethanamide | Authors: | Neumann, P, Ficner, R. | Deposit date: | 2023-01-04 | Release date: | 2023-06-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Computer-aided design of a cyclic di-AMP synthesizing enzyme CdaA inhibitor. Microlife, 4, 2023
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8CBS
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![BU of 8cbs by Molmil](/molmil-images/mine/8cbs) | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT871 | Descriptor: | (2~{S})-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P. | Deposit date: | 2023-01-25 | Release date: | 2023-06-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase. Antimicrob.Agents Chemother., 67, 2023
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344D
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![BU of 344d by Molmil](/molmil-images/mine/344d) | DETERMINATION BY MAD-DM OF THE STRUCTURE OF THE DNA DUPLEX D(ACGTACG(5-BRU))2 AT 1.46A AND 100K | Descriptor: | DNA (5'-D(*AP*CP*GP*TP*AP*CP*GP*(BRU))-3') | Authors: | Todd, A.R, Adams, A, Powell, H.R, Cardin, C.J. | Deposit date: | 1997-08-04 | Release date: | 1997-09-26 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Determination by MAD-DM of the structure of the DNA duplex d[ACGTACG(5-BrU)]2 at 1.46 A and 100 K. Acta Crystallogr.,Sect.D, 55, 1999
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8CIW
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![BU of 8ciw by Molmil](/molmil-images/mine/8ciw) | Methylsuccinyl-CoA dehydrogenase from Pseudomonas migulae with bound FAD and (2S)-methylsuccinyl-CoA | Descriptor: | (2S)-Methylsuccinyl-CoA, (2S)-methylsuccinyl-CoA dehydrogenase, CITRATE ANION, ... | Authors: | Zarzycki, J, McLean, R, Erb, T.J. | Deposit date: | 2023-02-10 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Exploring alternative pathways for the in vitro establishment of the HOPAC cycle for synthetic CO 2 fixation. Sci Adv, 9, 2023
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8T88
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![BU of 8t88 by Molmil](/molmil-images/mine/8t88) | |
1ING
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![BU of 1ing by Molmil](/molmil-images/mine/1ing) | INFLUENZA A SUBTYPE N2 NEURAMINIDASE COMPLEXED WITH AROMATIC BANA109 INHIBITOR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID, CALCIUM ION, ... | Authors: | Jedrzejas, M.J, Luo, M. | Deposit date: | 1995-07-07 | Release date: | 1996-08-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based inhibitors of influenza virus sialidase. A benzoic acid lead with novel interaction. J.Med.Chem., 38, 1995
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2MYM
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![BU of 2mym by Molmil](/molmil-images/mine/2mym) | |
5XP5
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![BU of 5xp5 by Molmil](/molmil-images/mine/5xp5) | C-Src in complex with ATP-Chf | Descriptor: | MAGNESIUM ION, Proto-oncogene tyrosine-protein kinase Src, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[(S)-fluoranyl-[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid | Authors: | Duan, Y, Guo, M, Dai, S, Chen, L, Chen, Y. | Deposit date: | 2017-06-01 | Release date: | 2018-02-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Remarkably Stereospecific Utilization of ATP alpha , beta-Halomethylene Analogues by Protein Kinases. J. Am. Chem. Soc., 139, 2017
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7PP9
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![BU of 7pp9 by Molmil](/molmil-images/mine/7pp9) | |
6XN8
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![BU of 6xn8 by Molmil](/molmil-images/mine/6xn8) | Crystal Structure of 2-hydroxyacyl CoA lyase (HACL) from Rhodospirillales bacterium URHD0017 | Descriptor: | 2-hydroxyacyl-CoA lyase 1, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Miller, M.D, Xu, W, Olmos Jr, J.L, Chou, A, Clomburg, J.M, Gonzalez, R, Philips Jr, G.N. | Deposit date: | 2020-07-02 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of 2-hydroxyacyl CoA lyase (HACL) from Rhodospirillales bacterium URHD0017 To Be Published
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2MYL
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![BU of 2myl by Molmil](/molmil-images/mine/2myl) | |
6EKQ
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![BU of 6ekq by Molmil](/molmil-images/mine/6ekq) | Crystal structure of the human BRPF1 bromodomain complexed with BZ054 in space group C2 | Descriptor: | NITRATE ION, Peregrin, ~{N}-[4-[[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2017-09-26 | Release date: | 2018-06-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure-based discovery of selective BRPF1 bromodomain inhibitors. Eur J Med Chem, 155, 2018
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3NFP
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![BU of 3nfp by Molmil](/molmil-images/mine/3nfp) | Crystal structure of the Fab fragment of therapeutic antibody daclizumab in complex with IL-2Ra (CD25) ectodomain | Descriptor: | Heavy chain of Fab fragment of daclizumab, Interleukin-2 receptor subunit alpha, Light chain of Fab fragment of daclizumab | Authors: | Yang, H, Wang, J, Du, J, Zhong, C, Guo, Y, Ding, J. | Deposit date: | 2010-06-10 | Release date: | 2010-09-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Structural basis of immunosuppression by the therapeutic antibody daclizumab Cell Res., 20, 2010
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