7RU2
 
 | | SARS-CoV-2-6P-Mut7 S protein (asymmetric) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | 著者 | Ozorowski, G, Turner, H.L, Ward, A.B. | | 登録日 | 2021-08-16 | | 公開日 | 2022-08-24 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
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7RWQ
 | | Crystal Structure of BPTF bromodomain in complex with 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one | | 分子名称: | 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one, CALCIUM ION, Nucleosome-remodeling factor subunit BPTF | | 著者 | Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | | 登録日 | 2021-08-20 | | 公開日 | 2022-08-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
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4YOB
 | | Crystal Structure of Apo HIV-1 Protease MDR769 L33F | | 分子名称: | HIV-1 Protease | | 著者 | Kuiper, B.D, Keusch, B, Dewdney, T.G, Chordia, P, Ross, K, Brunzelle, J.S, Kovari, I.A, MacArthur, R, Salimnia, H, Kovari, L.C. | | 登録日 | 2015-03-11 | | 公開日 | 2015-07-08 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.504 Å) | | 主引用文献 | The L33F darunavir resistance mutation acts as a molecular anchor reducing the flexibility of the HIV-1 protease 30s and 80s loops.
Biochem Biophys Rep, 2, 2015
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8V6L
 | | Open-state cryo-EM structure of human TRPV3 in presence of tetrahydrocannabivarin (THCV) in cNW30 nanodiscs | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Tetrahydrocannabivarin, ... | | 著者 | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | 登録日 | 2023-12-01 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (3.68 Å) | | 主引用文献 | TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site.
Sci Adv, 10, 2024
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8V6M
 | | Inactivated-state cryo-EM structure of human TRPV3 in presence of tetrahydrocannabivarin (THCV) in cNW30 nanodiscs | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Tetrahydrocannabivarin, ... | | 著者 | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | 登録日 | 2023-12-01 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (3.63 Å) | | 主引用文献 | TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site.
Sci Adv, 10, 2024
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3KN2
 | | HCV NS3 Protease Domain with ketoamide inhibitor | | 分子名称: | (1R,2S,5S)-3-{(2S)-2-(2,3-dihydro-1H-inden-2-yl)-2-[({(1S)-2,2-dimethyl-1-[(2-oxopiperidin-1-yl)methyl]propyl}carbamoyl)amino]acetyl}-6,6-dimethyl-N-{(1S)-1-[oxo(prop-2-en-1-ylamino)acetyl]butyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide, HCV NS3 Protease Domain, Peptide KK-NS4A-KK, ... | | 著者 | Nair, L.G, Sannigrahi, M, Pinto, P, Bogen, S, Chen, K.X, Njoroge, G, Prongay, A. | | 登録日 | 2009-11-11 | | 公開日 | 2010-01-19 | | 最終更新日 | 2021-10-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | P4 capped amides and lactams as HCV NS3 protease inhibitors with improved potency and DMPK profile.
Bioorg.Med.Chem.Lett., 20, 2010
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7RU5
 | | CC6.30 fragment antigen binding in complex with SARS-CoV-2-6P-Mut7 S protein (non-uniform refinement) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CC6.30 Fab heavy chain Fv, ... | | 著者 | Ozorowski, G, Turner, H.L, Ward, A.B. | | 登録日 | 2021-08-16 | | 公開日 | 2022-08-24 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
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8V6O
 | | Inactivated-state cryo-EM structure of human TRPV3 in presence of 2-APB in cNW30 nanodiscs | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-aminoethyl diphenylborinate, SODIUM ION, ... | | 著者 | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | 登録日 | 2023-12-01 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (2.83 Å) | | 主引用文献 | TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site.
Sci Adv, 10, 2024
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8OPR
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6V20
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5MZE
 | | Crystal structure of mouse MTH1 with 8-oxo-dGTP | | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, COPPER (II) ION, ... | | 著者 | Narwal, M, Jemth, A.-S, Helleday, T, Stenmark, P. | | 登録日 | 2017-01-31 | | 公開日 | 2018-01-10 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity.
Biochemistry, 57, 2018
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8VC8
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1K3V
 | | Porcine Parvovirus Capsid | | 分子名称: | capsid protein VP2 | | 著者 | Simpson, A.A, Hebert, B, Sullivan, G.M, Parrish, C.R, Zadori, Z, Tijssen, P, Rossmann, M.G. | | 登録日 | 2001-10-04 | | 公開日 | 2001-10-24 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | The structure of porcine parvovirus: comparison with related viruses.
J.Mol.Biol., 315, 2002
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5N0E
 | | Crystal structure of human carbonic anhydrase II in complex with (S)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide. | | 分子名称: | 4-[[(1~{S})-6,7-bis(oxidanyl)-1-phenyl-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Di Fiore, A, De Simone, G. | | 登録日 | 2017-02-02 | | 公開日 | 2017-05-10 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Probing Molecular Interactions between Human Carbonic Anhydrases (hCAs) and a Novel Class of Benzenesulfonamides.
J. Med. Chem., 60, 2017
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8C7U
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8OX7
 | | Cryo-EM structure of ATP8B1-CDC50A in E2P autoinhibited "closed" conformation | | 分子名称: | (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, ... | | 著者 | Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P. | | 登録日 | 2023-05-01 | | 公開日 | 2023-11-29 | | 実験手法 | ELECTRON MICROSCOPY (2.56 Å) | | 主引用文献 | Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
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1O9X
 | | HUMAN SERUM ALBUMIN COMPLEXED WITH TETRADECANOIC ACID (MYRISTIC ACID) AND HEMIN | | 分子名称: | MYRISTIC ACID, PROTOPORPHYRIN IX CONTAINING FE, SERUM ALBUMIN | | 著者 | Zunszain, P.A, Ghuman, J, Komatsu, T, Tsuchida, E, Curry, S. | | 登録日 | 2002-12-20 | | 公開日 | 2003-03-13 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Crystal Structure Analysis of Human Serum Albumin Complexed with Hemin and Fatty Acid
Bmc Struct.Biol., 3, 2003
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7MAK
 | | HIV-1 Protease (I84V) in Complex with PU7 (LR3-67) | | 分子名称: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | | 著者 | Lockbaum, G.J, Schiffer, C.A. | | 登録日 | 2021-03-31 | | 公開日 | 2022-04-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.972 Å) | | 主引用文献 | HIV-1 Protease in Complex with ligands
To Be Published
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7MAE
 | | HIV-1 Protease (I84V) in Complex with PU1 (LR3-46) | | 分子名称: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | | 著者 | Lockbaum, G.J, Schiffer, C.A. | | 登録日 | 2021-03-31 | | 公開日 | 2022-04-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.735 Å) | | 主引用文献 | HIV-1 Protease in Complex with ligands
To Be Published
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7M9P
 | | HIV-1 Protease (I84V) in Complex with LR3-55 | | 分子名称: | Protease, SULFATE ION, diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate | | 著者 | Lockbaum, G.J, Schiffer, C.A. | | 登録日 | 2021-03-31 | | 公開日 | 2022-04-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.819 Å) | | 主引用文献 | HIV-1 Protease in Complex with ligands
To Be Published
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3ZM2
 | | Catalytic domain of human SHP2 | | 分子名称: | TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 11 | | 著者 | Bohm, K, Schuetz, A, Roske, Y, Heinemann, U. | | 登録日 | 2013-02-04 | | 公開日 | 2014-04-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Selective Inhibitors of the Protein Tyrosine Phosphatase Shp2 Block Cellular Motility and Growth of Cancer Cells in Vitro and in Vivo.
Chemmedchem, 10, 2015
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6UU3
 | | E. coli sigma-S transcription initiation complex with a 4-nt RNA and a CTP ("Old" crystal soaked with GTP, ATP, CTP, and ddTTP for 30 minutes) | | 分子名称: | CYTIDINE-5'-TRIPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | 著者 | Zuo, Y, De, S, Steitz, T.A. | | 登録日 | 2019-10-30 | | 公開日 | 2020-08-26 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (4.002 Å) | | 主引用文献 | Structural Insights into Transcription Initiation from De Novo RNA Synthesis to Transitioning into Elongation.
Iscience, 23, 2020
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2WLV
 | | Structure of the N-terminal capsid domain of HIV-2 | | 分子名称: | GAG POLYPROTEIN | | 著者 | Price, A.J, Marzetta, F, Lammers, M, Ylinen, L.M.J, Schaller, T, Wilson, S.J, Towers, G.J, James, L.C. | | 登録日 | 2009-06-26 | | 公開日 | 2009-09-22 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Active Site Remodelling Switches HIV Specificity of Antiretroviral Trimcyp
Nat.Struct.Mol.Biol., 16, 2009
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2WXC
 | | The folding mechanism of BBL: Plasticity of transition-state structure observed within an ultrafast folding protein family. | | 分子名称: | DIHYDROLIPOYLTRANSSUCCINASE | | 著者 | Neuweiler, H, Sharpe, T.D, Rutherford, T.J, Johnson, C.M, Allen, M.D, Ferguson, N, Fersht, A.R. | | 登録日 | 2009-11-06 | | 公開日 | 2009-11-17 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The Folding Mechanism of Bbl: Plasticity of Transition-State Structure Observed within an Ultrafast Folding Protein Family.
J.Mol.Biol., 390, 2009
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3ZUN
 | | pVHL54-213-EloB-EloC complex_(2S,4R)-4-hydroxy-1-(2-(3-methylisoxazol- 5-yl)acetyl)-N-(4-nitrobenzyl)pyrrolidine-2-carboxamide bound | | 分子名称: | (4R)-N-[4-(DIHYDROXYAMINO)BENZYL]-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L-PROLINAMIDE, GLYCEROL, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, ... | | 著者 | Van Molle, I, Buckley, D, Crews, C.M, Ciulli, A. | | 登録日 | 2011-07-19 | | 公開日 | 2012-07-25 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Elongin-B, Elongin-C, Von Hippel-Lindau Disease Tumor Suppressor Complex
To be Published
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