2AWZ
 
 | | Hepatitis C Virus NS5b RNA Polymerase in complex with a covalent inhibitor (5h) | | Descriptor: | 5R-(4-BROMOPHENYLMETHYL)-3-(BENZENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE, Genome polyprotein, SULFATE ION | | Authors: | Powers, J.P, Piper, D.E, Li, Y, Mayorga, V, Anzola, J, Chen, J.M, Jaen, J.C, Lee, G, Liu, J, Peterson, M.G, Tonn, G.R, Ye, Q, Walker, N.P, Wang, Z. | | Deposit date: | 2005-09-02 | | Release date: | 2006-01-24 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | SAR and Mode of Action of Novel Non-Nucleoside Inhibitors of Hepatitis C NS5b RNA Polymerase.
J.Med.Chem., 49, 2006
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6DXK
 | | Glucocorticoid Receptor in complex with Compound 11 | | Descriptor: | (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name), Glucocorticoid receptor | | Authors: | Rew, Y, Du, X, Eksterowicz, J, Zhou, H, Jahchan, N, Zhu, L, Yan, X, Kawai, H, McGee, L.R, Medina, J.C, Huang, T, Chen, C, Zavorotinskaya, T, Sutimantanapi, D, Waszczuk, J, Jackson, E, Huang, E, Ye, Q, Fantin, V.R, Daqing, S. | | Deposit date: | 2018-06-29 | | Release date: | 2018-10-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Discovery of a Potent and Selective Steroidal Glucocorticoid Receptor Antagonist (ORIC-101).
J. Med. Chem., 61, 2018
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7TO3
 | | Structure of Enterobacter cloacae Cap2-CdnD02 2:2 complex | | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Gu, Y, Ye, Q, Ledvina, H.E, Quan, Y, Lau, R.K, Zhou, H, Whiteley, A.T, Corbett, K.D. | | Deposit date: | 2022-01-22 | | Release date: | 2023-01-11 | | Last modified: | 2023-04-26 | | Method: | ELECTRON MICROSCOPY (2.74 Å) | | Cite: | An E1-E2 fusion protein primes antiviral immune signalling in bacteria.
Nature, 616, 2023
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3HAG
 | | Crystal structure of the Hepatitis E Virus-like Particle | | Descriptor: | Capsid protein | | Authors: | Guu, T.S.Y, Liu, Z, Ye, Q, Mata, D.A, Li, K, Yin, C, Zhang, J, Tao, Y.J. | | Deposit date: | 2009-05-01 | | Release date: | 2009-09-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure of the hepatitis E virus-like particle suggests mechanisms for virus assembly and receptor binding.
Proc.Natl.Acad.Sci.USA, 106, 2009
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4MSI
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2MSI
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2MOK
 | | holo_FldA | | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavodoxin | | Authors: | Jin, C, Hu, Y, Ye, Q. | | Deposit date: | 2014-04-27 | | Release date: | 2015-05-20 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | NMR study of YqcA from Escherichia coli
To be Published
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4E03
 | | Structure of ParF-ADP form 2 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Plasmid partitioning protein ParF | | Authors: | Schumacher, M.A, Ye, Q, Barge, M.R, Barilla, D, Hayes, F. | | Deposit date: | 2012-03-02 | | Release date: | 2012-06-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural Mechanism of ATP-induced Polymerization of the Partition Factor ParF: IMPLICATIONS FOR DNA SEGREGATION.
J.Biol.Chem., 287, 2012
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4DZZ
 | | Structure of ParF-ADP, crystal form 1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Plasmid partitioning protein ParF | | Authors: | Schumacher, M.A, Ye, Q, Barge, M.R, Barilla, D, Hayes, F. | | Deposit date: | 2012-03-01 | | Release date: | 2012-06-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Mechanism of ATP-induced Polymerization of the Partition Factor ParF: IMPLICATIONS FOR DNA SEGREGATION.
J.Biol.Chem., 287, 2012
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4E09
 | | Structure of ParF-AMPPCP, I422 form | | Descriptor: | PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Plasmid partitioning protein ParF, SULFATE ION | | Authors: | Schumacher, M.A, Ye, Q, Barge, M.R, Barilla, D, Hayes, F. | | Deposit date: | 2012-03-02 | | Release date: | 2012-06-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Structural Mechanism of ATP-induced Polymerization of the Partition Factor ParF: IMPLICATIONS FOR DNA SEGREGATION.
J.Biol.Chem., 287, 2012
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4E07
 | | ParF-AMPPCP-C2221 form | | Descriptor: | PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Plasmid partitioning protein ParF | | Authors: | Schumacher, M.A, Ye, Q, Barge, M.R, Barilla, D, Hayes, F. | | Deposit date: | 2012-03-02 | | Release date: | 2012-06-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural Mechanism of ATP-induced Polymerization of the Partition Factor ParF: IMPLICATIONS FOR DNA SEGREGATION.
J.Biol.Chem., 287, 2012
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6MSI
 | | TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 | | Descriptor: | TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 | | Authors: | Deluca, C.I, Davies, P.L, Ye, Q, Jia, Z. | | Deposit date: | 1997-09-17 | | Release date: | 1998-10-21 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The effects of steric mutations on the structure of type III antifreeze protein and its interaction with ice.
J.Mol.Biol., 275, 1998
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7TQD
 | | Structure of Enterobacter cloacae Cap2-CdnD02 2:1 complex | | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Gu, Y, Ye, Q, Ledvina, H.E, Quan, Y, Lau, R.K, Zhou, H, Whiteley, A.T, Corbett, K.D. | | Deposit date: | 2022-01-26 | | Release date: | 2023-01-11 | | Last modified: | 2023-04-26 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | An E1-E2 fusion protein primes antiviral immune signalling in bacteria.
Nature, 616, 2023
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2P98
 | | E. coli methionine aminopeptidase monometalated with inhibitor YE7 | | Descriptor: | IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHYDRAZIDE, MANGANESE (II) ION, Methionine aminopeptidase, ... | | Authors: | Ye, Q. | | Deposit date: | 2007-03-24 | | Release date: | 2007-11-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Inhibition of Monometalated Methionine Aminopeptidase: Inhibitor Discovery and Crystallographic Analysis.
J.Med.Chem., 50, 2007
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2P9A
 | | E. coli methionine aminopeptidase dimetalated with inhibitor YE6 | | Descriptor: | 5-(2-chlorophenyl)furan-2-carbohydrazide, MANGANESE (II) ION, Methionine aminopeptidase, ... | | Authors: | Ye, Q. | | Deposit date: | 2007-03-24 | | Release date: | 2007-11-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Inhibition of Monometalated Methionine Aminopeptidase: Inhibitor Discovery and Crystallographic Analysis.
J.Med.Chem., 50, 2007
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2P99
 | | E. coli methionine aminopeptidase monometalated with inhibitor YE6 | | Descriptor: | 5-(2-chlorophenyl)furan-2-carbohydrazide, MANGANESE (II) ION, Methionine aminopeptidase, ... | | Authors: | Ye, Q. | | Deposit date: | 2007-03-24 | | Release date: | 2007-11-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Inhibition of Monometalated Methionine Aminopeptidase: Inhibitor Discovery and Crystallographic Analysis.
J.Med.Chem., 50, 2007
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5DYJ
 | | Mysosin heavy chain kinase A catalytic domain mutant - D663A | | Descriptor: | ADENOSINE MONOPHOSPHATE, GLYCEROL, Myosin heavy chain kinase A, ... | | Authors: | van Staalduinen, L.M, Yang, Y, Jia, Z. | | Deposit date: | 2015-09-24 | | Release date: | 2016-06-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the Dictyostelium Myosin-II Heavy Chain Kinase A (MHCK-A) alpha-kinase domain apoenzyme reveals a novel autoinhibited conformation.
Sci Rep, 6, 2016
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4ERE
 | | crystal structure of MDM2 (17-111) in complex with compound 23 | | Descriptor: | E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(3R,5R,6S)-1-[(2S)-1-tert-butoxy-1-oxobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-3-yl]acetic acid | | Authors: | Huang, X. | | Deposit date: | 2012-04-20 | | Release date: | 2012-05-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
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3U4U
 | | Casein kinase 2 in complex with AZ-Inhibitor | | Descriptor: | 3-{5-(acetylamino)-3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-indol-1-yl}propanoic acid, CHLORIDE ION, Casein kinase II subunit alpha | | Authors: | Larsen, N.A, Dowling, J. | | Deposit date: | 2011-10-10 | | Release date: | 2012-08-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Potent and Selective Inhibitors of CK2 Kinase Identified through Structure-Guided Hybridization.
ACS Med Chem Lett, 3, 2012
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6DD8
 | | Structure of mouse SYCP3, P21 form | | Descriptor: | Synaptonemal complex protein 3 | | Authors: | Rosenberg, S.C, Munoz, I.C, Uson, I, Corbett, K.D. | | Deposit date: | 2018-05-09 | | Release date: | 2018-08-01 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A conserved filamentous assembly underlies the structure of the meiotic chromosome axis.
Elife, 8, 2019
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6Y4M
 | | Structure of Tubulin Tyrosine Ligase in Complex with Tb111 | | Descriptor: | (2~{R})-1-methylpiperidine-2-carboxylic acid, (2~{S},4~{R})-4-azanyl-2-methyl-5-phenyl-pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Gavrilyuk, J, Nocek, B, Rigol, S, Nicolaou, K.C, Stoll, V. | | Deposit date: | 2020-02-21 | | Release date: | 2021-03-31 | | Last modified: | 2022-11-23 | | Method: | X-RAY DIFFRACTION (3.34 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Tubulysin Analogues, Linker-Drugs, and Antibody-Drug Conjugates, Insights into Structure-Activity Relationships, and Tubulysin-Tubulin Binding Derived from X-ray Crystallographic Analysis.
J.Org.Chem., 86, 2021
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6Y4N
 | | Structure of Tubulin Tyrosine Ligase in Complex with Tb116 | | Descriptor: | (2~{R})-1-methylpiperidine-2-carboxylic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Gavrilyuk, J, Nocek, B, Rigol, S, Nicolaou, K.C, Stoll, V. | | Deposit date: | 2020-02-21 | | Release date: | 2021-03-31 | | Last modified: | 2022-11-23 | | Method: | X-RAY DIFFRACTION (2.852 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Tubulysin Analogues, Linker-Drugs, and Antibody-Drug Conjugates, Insights into Structure-Activity Relationships, and Tubulysin-Tubulin Binding Derived from X-ray Crystallographic Analysis.
J.Org.Chem., 86, 2021
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8UV0
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3D4N
 | | Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) in Complex with Sulfonamide Inhibitor | | Descriptor: | 1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Wang, Z, Liu, J, Sudom, A, Walker, N.P. | | Deposit date: | 2008-05-14 | | Release date: | 2008-07-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of Novel, Potent Benzamide Inhibitors of 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1) Exhibiting Oral Activity in an Enzyme Inhibition ex Vivo Model
J.Med.Chem., 51, 2008
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3D3E
 | | Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) in Complex with Benzamide Inhibitor | | Descriptor: | Corticosteroid 11-beta-dehydrogenase isozyme 1, N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Wang, Z, Sudom, A, Liu, J, Walker, N.P. | | Deposit date: | 2008-05-09 | | Release date: | 2008-07-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of Novel, Potent Benzamide Inhibitors of 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1) Exhibiting Oral Activity in an Enzyme Inhibition ex Vivo Model
J.Med.Chem., 51, 2008
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