3E51
| Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor | Descriptor: | N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-pyrrolidin-1-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase | Authors: | Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R. | Deposit date: | 2008-08-12 | Release date: | 2009-08-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 5: Exploration of pyridazinones containing 6-amino-substituents. Bioorg.Med.Chem.Lett., 18, 2008
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6U25
| CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS- RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC INVERSE AGONIST | Descriptor: | GLYCEROL, NUCLEAR RECEPTOR COACTIVATOR 1 CHIMERA, trans-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid | Authors: | Sack, J. | Deposit date: | 2019-08-19 | Release date: | 2019-11-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Rationally Designed, Conformationally Constrained Inverse Agonists of ROR gamma t-Identification of a Potent, Selective Series with Biologic-Like in Vivo Efficacy. J.Med.Chem., 62, 2019
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6VQF
| CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244- 487)-L6-SRC1(678-692)) IN COMPLEX WITH AN INVERSE AGONIST | Descriptor: | (1R,3S,4R)-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid, GLYCEROL, Nuclear receptor ROR-gamma | Authors: | Sack, J.S. | Deposit date: | 2020-02-05 | Release date: | 2020-04-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of BMS-986251: A Clinically Viable, Potent, and Selective ROR gamma t Inverse Agonist. Acs Med.Chem.Lett., 11, 2020
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6P9F
| Crystal structure of RAR-related orphan receptor C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) in complex with a phenyl (3-phenylpyrrolidin-3-yl)sulfone inhibitor | Descriptor: | Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 chimera, trans-4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrrolidine-1-carbonyl}cyclohexane-1-carboxylic acid | Authors: | Sack, J. | Deposit date: | 2019-06-10 | Release date: | 2019-07-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of potent, selective and orally bioavailable phenyl ((R)-3-phenylpyrrolidin-3-yl)sulfone analogues as ROR gamma t inverse agonists. Bioorg.Med.Chem.Lett., 29, 2019
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6INB
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6INC
| Crystal structure of an acetolactate decarboxylase from Klebsiella pneumoniae | Descriptor: | 1,2-ETHANEDIOL, Alpha-acetolactate decarboxylase, CHLORIDE ION, ... | Authors: | Wu, W, Zhang, Q, Bartlam, M. | Deposit date: | 2018-10-24 | Release date: | 2019-01-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.604 Å) | Cite: | Structural characterization of an acetolactate decarboxylase from Klebsiella pneumoniae Biochem. Biophys. Res. Commun., 509, 2019
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1QR2
| HUMAN QUINONE REDUCTASE TYPE 2 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, PROTEIN (QUINONE REDUCTASE TYPE 2), ZINC ION | Authors: | Foster, C, Bianchet, M.A, Talalay, P, Amzel, L.M. | Deposit date: | 1999-04-15 | Release date: | 1999-08-18 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of human quinone reductase type 2, a metalloflavoprotein. Biochemistry, 38, 1999
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6IGF
| Crystal structure of Human Papillomavirus type 52 pentamer | Descriptor: | Major capsid protein L1 | Authors: | Li, Z.H, Song, S, He, M.Z, Gu, Y, Li, S.W. | Deposit date: | 2018-09-25 | Release date: | 2018-11-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.751 Å) | Cite: | Rational design of a triple-type human papillomavirus vaccine by compromising viral-type specificity. Nat Commun, 9, 2018
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6IGE
| Crystal structure of Human Papillomavirus type 33 pentamer | Descriptor: | Major capsid protein L1 | Authors: | Li, Z.H, Song, S, He, M.Z, Gu, Y, Li, S.W. | Deposit date: | 2018-09-25 | Release date: | 2018-12-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Rational design of a triple-type human papillomavirus vaccine by compromising viral-type specificity. Nat Commun, 9, 2018
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8ILF
| The crystal structure of dGTPalphaSe-Sp:DNApre-II:Pol X substrate ternary complex | Descriptor: | DNA (5'-D(*CP*TP*GP*GP*AP*TP*CP*CP*A)-3'), MANGANESE (II) ION, Repair DNA polymerase X, ... | Authors: | Qin, T, Zhao, Q.W, Gan, J.H, Huang, Z. | Deposit date: | 2023-03-03 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom. Int J Mol Sci, 24, 2023
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1WOF
| Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor N1 | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | Authors: | Yang, H, Bartlam, M, Xue, X, Yang, K, Liang, W, Rao, Z. | Deposit date: | 2004-08-18 | Release date: | 2005-08-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases. Plos Biol., 3, 2005
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1VJI
| Gene Product of At1g76680 from Arabidopsis thaliana | Descriptor: | 12-oxophytodienoate reductase (OPR1), FLAVIN MONONUCLEOTIDE | Authors: | Wesenberg, G.E, Smith, D.W, Phillips Jr, G.N, Johnson, K.A, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2004-02-24 | Release date: | 2004-03-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | X-ray structure of Arabidopsis At1g77680, 12-oxophytodienoate reductase isoform 1. Proteins, 61, 2005
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5J6R
| Crystal structure of Human Papillomavirus Type 59 L1 pentamer | Descriptor: | Major capsid protein L1 | Authors: | Li, Z.H, Yan, X.D, Yu, H, Gu, Y, Li, S.W. | Deposit date: | 2016-04-05 | Release date: | 2016-05-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (4.011 Å) | Cite: | The C-Terminal Arm of the Human Papillomavirus Major Capsid Protein Is Immunogenic and Involved in Virus-Host Interaction. Structure, 24, 2016
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5JB1
| Pseudo-atomic structure of Human Papillomavirus Type 59 L1 Virus-like Particle | Descriptor: | Major capsid protein L1 | Authors: | Li, Z.H, Yan, X.D, Yu, H, Zheng, Q.B, Gu, Y, Li, S.W. | Deposit date: | 2016-04-13 | Release date: | 2016-05-18 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (6 Å) | Cite: | The C-Terminal Arm of the Human Papillomavirus Major Capsid Protein Is Immunogenic and Involved in Virus-Host Interaction. Structure, 24, 2016
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6IGC
| Crystal structure of HPV58/33/52 chimeric L1 pentamer | Descriptor: | Major capsid protein L1 | Authors: | Li, Z.H, Song, S, He, M.Z, Gu, Y, Li, S.W. | Deposit date: | 2018-09-25 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Rational design of a triple-type human papillomavirus vaccine by compromising viral-type specificity. Nat Commun, 9, 2018
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6IGD
| Crystal structure of HPV58/33 chimeric L1 pentamer | Descriptor: | Major capsid protein L1 | Authors: | Li, Z.H, Song, S, He, M.Z, Gu, Y, Li, S.W. | Deposit date: | 2018-09-25 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Rational design of a triple-type human papillomavirus vaccine by compromising viral-type specificity. Nat Commun, 9, 2018
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5KU9
| Crystal structure of MCL1 with compound 1 | Descriptor: | (3~{S})-3-azanyl-4-(4-bromophenyl)-~{N}-[(3~{S})-1-[2-[[(2~{R})-1-(3,4-dichlorophenyl)-4-(methylamino)-4-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-4,5-dihydro-3~{H}-1-benzazepin-3-yl]butanamide, Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION | Authors: | Ferguson, A.D. | Deposit date: | 2016-07-13 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors. ACS Med Chem Lett, 8, 2017
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8IGZ
| Xcc NAMPT Quadruple mutant | Descriptor: | Pre-B cell enhancing factor related protein | Authors: | Xu, G.L, Ming, Z.H. | Deposit date: | 2023-02-21 | Release date: | 2024-02-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Structural insights into Xanthomonas campestris pv. campestris NAD + biosynthesis via the NAM salvage pathway. Commun Biol, 7, 2024
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5MES
| MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 29 | Descriptor: | (5~{R},13~{S},17~{S})-5-[[4-chloranyl-3-(2-phenylethyl)phenyl]methyl]-13-[(4-chlorophenyl)methyl]-8-methyl-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20(25),21,23-triene-3,7,15,26-tetrone, Heavy Chain, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog,Induced myeloid leukemia cell differentiation protein Mcl-1, ... | Authors: | Hargreaves, D. | Deposit date: | 2016-11-16 | Release date: | 2017-01-18 | Last modified: | 2017-03-08 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors. ACS Med Chem Lett, 8, 2017
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5MEV
| MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 21 | Descriptor: | (5~{R},13~{S},17~{S})-5-[(3,4-dichlorophenyl)methyl]-8-methyl-13-[(4-methylsulfonylphenyl)methyl]-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20,22,24-triene-3,7,15,26-tetrone, Fab Heavy Chain, Fab Light Chain, ... | Authors: | Hargreaves, D. | Deposit date: | 2016-11-16 | Release date: | 2017-01-18 | Last modified: | 2017-03-08 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors Acs Med.Chem.Lett., 8, 2017
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4N9B
| Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 1-methyl-N-(pyridin-3-yl)-1H-pyrazole-5-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | Authors: | Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhai, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X. | Deposit date: | 2013-10-20 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.859 Å) | Cite: | Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 24, 2014
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2ETT
| Solution Structure of Human Sorting Nexin 22 PX Domain | Descriptor: | Sorting nexin-22 | Authors: | Song, J, Zhao, Q, Tyler, R.C, Lee, M.S, Newman, C.L, Markley, J.L, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2005-10-27 | Release date: | 2005-11-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of human sorting nexin 22. Protein Sci., 16, 2007
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2D2D
| Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor I2 | Descriptor: | 3C-like proteinase, ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-BUTOXYCARBONYL)-L-VALYL]AMINO}-2-PHENYLETHANOYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE | Authors: | Yang, H, Bartlam, M, Xue, X, Yang, K, Liang, W, Ding, Y, Rao, Z. | Deposit date: | 2005-09-08 | Release date: | 2005-09-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases. Plos Biol., 3, 2005
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1Q53
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1Q4R
| Gene Product of At3g17210 from Arabidopsis Thaliana | Descriptor: | MAGNESIUM ION, protein At3g17210 | Authors: | Phillips Jr, G.N, Bingman, C.A, Johnson, K.A, Smith, D.W, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2003-08-04 | Release date: | 2003-11-25 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the protein from gene At3g17210 of Arabidopsis thaliana Proteins, 57, 2004
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