7MIG
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![BU of 7mig by Molmil](/molmil-images/mine/7mig) | Human CTPS1 bound to inhibitor T35 | 分子名称: | 2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide, CTP synthase 1, GLUTAMINE, ... | 著者 | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | 登録日 | 2021-04-16 | 公開日 | 2021-10-13 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Structural basis for isoform-specific inhibition of human CTPS1. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MIU
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![BU of 7miu by Molmil](/molmil-images/mine/7miu) | Mouse CTPS2 bound to inhibitor R80 | 分子名称: | CTP synthase 2, GLUTAMINE, MAGNESIUM ION, ... | 著者 | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | 登録日 | 2021-04-17 | 公開日 | 2021-10-13 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | 主引用文献 | Structural basis for isoform-specific inhibition of human CTPS1. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MIH
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![BU of 7mih by Molmil](/molmil-images/mine/7mih) | Human CTPS2 bound to inhibitor R80 | 分子名称: | CTP synthase 2, GLUTAMINE, MAGNESIUM ION, ... | 著者 | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | 登録日 | 2021-04-16 | 公開日 | 2021-10-13 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Structural basis for isoform-specific inhibition of human CTPS1. Proc.Natl.Acad.Sci.USA, 118, 2021
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1VBE
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![BU of 1vbe by Molmil](/molmil-images/mine/1vbe) | POLIOVIRUS (TYPE 3, SABIN STRAIN, MUTANT 242-H2) COMPLEXED WITH R78206 | 分子名称: | (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 3 | 著者 | Grant, R.A, Hiremath, C.N, Filman, D.J, Syed, R, Andries, K, Hogle, J.M. | 登録日 | 1996-01-02 | 公開日 | 1996-07-11 | 最終更新日 | 2021-11-03 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design. Curr.Biol., 4, 1994
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7MON
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![BU of 7mon by Molmil](/molmil-images/mine/7mon) | Structure of human RIPK3-MLKL complex | 分子名称: | Mixed lineage kinase domain-like protein, N-[4-({2-[(cyclopropanecarbonyl)amino]pyridin-4-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 3 | 著者 | Meng, Y, Davies, K.A, Czabotar, P.E, Murphy, J.M. | 登録日 | 2021-05-03 | 公開日 | 2021-11-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Human RIPK3 maintains MLKL in an inactive conformation prior to cell death by necroptosis. Nat Commun, 12, 2021
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7LFO
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![BU of 7lfo by Molmil](/molmil-images/mine/7lfo) | Protein Tyrosine Phosphatase 1B | 分子名称: | MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Sarkar, A, Kim, E.Y, Hongdusit, A, Sankaran, B, Fox, J.M. | 登録日 | 2021-01-18 | 公開日 | 2021-05-26 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Microbially Guided Discovery and Biosynthesis of Biologically Active Natural Products. Acs Synth Biol, 10, 2021
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1VLB
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![BU of 1vlb by Molmil](/molmil-images/mine/1vlb) | STRUCTURE REFINEMENT OF THE ALDEHYDE OXIDOREDUCTASE FROM DESULFOVIBRIO GIGAS AT 1.28 A | 分子名称: | (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), ALDEHYDE OXIDOREDUCTASE, CHLORIDE ION, ... | 著者 | Rebelo, J.M, Dias, J.M, Huber, R, Moura, J.J.G, Romao, M.J. | 登録日 | 2004-07-20 | 公開日 | 2004-07-27 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Structure refinement of the aldehyde oxidoreductase from Desulfovibrio gigas (MOP) at 1.28 A J.Biol.Inorg.Chem., 6, 2001
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9CYO
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![BU of 9cyo by Molmil](/molmil-images/mine/9cyo) | Crystal structure of wild-type human PTP1B (PTPN1) at room temperature (298 K) | 分子名称: | BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A. | 登録日 | 2024-08-02 | 公開日 | 2024-08-21 | 最終更新日 | 2024-08-28 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy. Biorxiv, 2024
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5BTL
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![BU of 5btl by Molmil](/molmil-images/mine/5btl) | Crystal structure of a topoisomerase II complex | 分子名称: | 1-cyclopropyl-6-fluoro-8-methyl-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA gyrase subunit A, DNA gyrase subunit B, ... | 著者 | Blower, T.R, Williamson, B.H, Kerns, R.J, Berger, J.M. | 登録日 | 2015-06-03 | 公開日 | 2016-03-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structure and stability of gyrase-fluoroquinolone cleaved complexes from Mycobacterium tuberculosis. Proc.Natl.Acad.Sci.USA, 113, 2016
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9EUO
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![BU of 9euo by Molmil](/molmil-images/mine/9euo) | Outward-open structure of Drosophila dopamine transporter bound to an atypical non-competitive inhibitor | 分子名称: | 9D5 ANTIBODY, HEAVY CHAIN, LIGHT CHAIN, ... | 著者 | Pedersen, C.N, Yang, F, Ita, S, Xu, Y, Akunuri, R, Trampari, S, Neumann, C.M.T, Desdorf, L.M, Schioett, B, Salvino, J.M, Mortensen, O.V, Nissen, P, Shahsavar, A. | 登録日 | 2024-03-27 | 公開日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Cryo-EM structure of the dopamine transporter with a novel atypical non-competitive inhibitor bound to the orthosteric site. J.Neurochem., 2024
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9CYQ
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![BU of 9cyq by Molmil](/molmil-images/mine/9cyq) | Crystal structure of Q78R mutant human PTP1B (PTPN1) at room temperature (298 K) | 分子名称: | BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A. | 登録日 | 2024-08-02 | 公開日 | 2024-08-21 | 最終更新日 | 2024-08-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy. Biorxiv, 2024
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9EUP
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![BU of 9eup by Molmil](/molmil-images/mine/9eup) | Inhibitor-free outward-open structure of Drosophila dopamine transporter | 分子名称: | 9D5 ANTIBODY, HEAVY CHAIN, LIGHT CHAIN, ... | 著者 | Pedersen, C.N, Yang, F, Ita, S, Xu, Y, Akunuri, R, Trampari, S, Neumann, C.M.T, Desdorf, L.M, Schioett, B, Salvino, J.M, Mortensen, O.V, Nissen, P, Shahsavar, A. | 登録日 | 2024-03-27 | 公開日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Cryo-EM structure of the dopamine transporter with a novel atypical non-competitive inhibitor bound to the orthosteric site. J.Neurochem., 2024
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9BAF
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![BU of 9baf by Molmil](/molmil-images/mine/9baf) | Solution NMR structure of conofurin-Delta | 分子名称: | Alpha-conotoxin LvIA | 著者 | Harvey, P.J, Craik, D.J, Hone, A.J, McIntosh, J.M. | 登録日 | 2024-04-04 | 公開日 | 2024-07-03 | 実験手法 | SOLUTION NMR | 主引用文献 | Design, Synthesis, and Structure-Activity Relationships of Novel Peptide Derivatives of the Severe Acute Respiratory Syndrome-Coronavirus-2 Spike-Protein that Potently Inhibit Nicotinic Acetylcholine Receptors. J.Med.Chem., 67, 2024
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6XZG
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![BU of 6xzg by Molmil](/molmil-images/mine/6xzg) | Influenza C virus polymerase in complex with chicken ANP32A - Subclass 3 | 分子名称: | Influenza viral RNA (vRNA) promoter 47mer, LRRcap domain-containing protein, Polymerase acidic protein, ... | 著者 | Carrique, L, Keown, J.R, Fan, H, Grimes, J.M, Fodor, E. | 登録日 | 2020-02-04 | 公開日 | 2020-11-25 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Host ANP32A mediates the assembly of the influenza virus replicase. Nature, 587, 2020
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9G35
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![BU of 9g35 by Molmil](/molmil-images/mine/9g35) | The HIV protease inhibitor lopinavir binding to the active site of Cryphonectria parasitica endothiapepsin | 分子名称: | 1,2-ETHANEDIOL, Endothiapepsin, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, ... | 著者 | Falke, S, Senst, J.M, Guenther, S, Meents, A. | 登録日 | 2024-07-11 | 公開日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | The HIV protease inhibitor lopinavir binding to the active site of Cryphonectria parasitica endothiapepsin To Be Published
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9CYR
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![BU of 9cyr by Molmil](/molmil-images/mine/9cyr) | Crystal structure of D245G mutant human PTP1B (PTPN1) at room temperature (298 K) | 分子名称: | BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A. | 登録日 | 2024-08-02 | 公開日 | 2024-08-21 | 最終更新日 | 2024-08-28 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy. Biorxiv, 2024
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9G34
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![BU of 9g34 by Molmil](/molmil-images/mine/9g34) | The HIV protease inhibitor darunavir binding to the active site of Cryphonectria parasitica endothiapepsin | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | 著者 | Falke, S, Senst, J.M, Guenther, S, Meents, A. | 登録日 | 2024-07-11 | 公開日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | The HIV protease inhibitor darunavir binding to the active site of Cryphonectria
parasitica endothiapepsin To Be Published
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5BTC
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![BU of 5btc by Molmil](/molmil-images/mine/5btc) | Crystal structure of a topoisomerase II complex | 分子名称: | 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, DNA gyrase subunit A, DNA gyrase subunit B, ... | 著者 | Blower, T.R, Williamson, B.H, Kerns, R.J, Berger, J.M. | 登録日 | 2015-06-02 | 公開日 | 2016-03-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Crystal structure and stability of gyrase-fluoroquinolone cleaved complexes from Mycobacterium tuberculosis. Proc.Natl.Acad.Sci.USA, 113, 2016
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9CYP
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![BU of 9cyp by Molmil](/molmil-images/mine/9cyp) | Crystal structure of I19V mutant human PTP1B (PTPN1) at room temperature (298 K) | 分子名称: | BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A. | 登録日 | 2024-08-02 | 公開日 | 2024-08-21 | 最終更新日 | 2024-08-28 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy. Biorxiv, 2024
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5BQ5
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![BU of 5bq5 by Molmil](/molmil-images/mine/5bq5) | |
9FXN
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![BU of 9fxn by Molmil](/molmil-images/mine/9fxn) | |
5BTD
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![BU of 5btd by Molmil](/molmil-images/mine/5btd) | Crystal structure of a topoisomerase II complex | 分子名称: | 1-cyclopropyl-6-fluoro-8-methoxy-7-[(3S)-3-methylpiperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA gyrase subunit A, DNA gyrase subunit B, ... | 著者 | Blower, T.R, Williamson, B.H, Kerns, R.J, Berger, J.M. | 登録日 | 2015-06-03 | 公開日 | 2016-03-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.497 Å) | 主引用文献 | Crystal structure and stability of gyrase-fluoroquinolone cleaved complexes from Mycobacterium tuberculosis. Proc.Natl.Acad.Sci.USA, 113, 2016
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9BJU
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![BU of 9bju by Molmil](/molmil-images/mine/9bju) | Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5 | 分子名称: | 1,2-ETHANEDIOL, 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, ACETATE ION, ... | 著者 | Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A. | 登録日 | 2024-04-25 | 公開日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Potency-enhanced peptidomimetic VHL ligands with improved oral bioavailability To Be Published
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9FVO
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![BU of 9fvo by Molmil](/molmil-images/mine/9fvo) | The HIV protease inhibitor amprenavir binding to the active site of Cryphonectria parasitica endothiapepsin | 分子名称: | 1,2-ETHANEDIOL, ACETIC ACID, Endothiapepsin, ... | 著者 | Falke, S, Senst, J.M, Guenther, S, Meents, A. | 登録日 | 2024-06-27 | 公開日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The HIV protease inhibitor amprenavir binding to the active site of Cryphonectria parasitica endothiapepsin To Be Published
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5BTF
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![BU of 5btf by Molmil](/molmil-images/mine/5btf) | Crystal structure of a topoisomerase II complex | 分子名称: | 1-cyclopropyl-6-fluoro-8-methoxy-7-[(3S)-3-methylpiperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA gyrase subunit A, DNA gyrase subunit B, ... | 著者 | Blower, T.R, Williamson, B.H, Kerns, R.J, Berger, J.M. | 登録日 | 2015-06-03 | 公開日 | 2016-03-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Crystal structure and stability of gyrase-fluoroquinolone cleaved complexes from Mycobacterium tuberculosis. Proc.Natl.Acad.Sci.USA, 113, 2016
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