5EEC
 
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5G1Q
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5GHY
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5HVT
 | | Crystal Structure of Macrophage Migration Inhibitory Factor (MIF) with a Potent Inhibitor (NVS-2) | | Descriptor: | 7-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,3-benzoxazin-2-one, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Robertson, M.J, Jorgensen, W.L. | | Deposit date: | 2016-01-28 | | Release date: | 2016-06-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A Fluorescence Polarization Assay for Binding to Macrophage Migration Inhibitory Factor and Crystal Structures for Complexes of Two Potent Inhibitors.
J.Am.Chem.Soc., 138, 2016
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6CG3
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6CG5
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6P2M
 | | Crystal structure of the Caldicellulosiruptor lactoaceticus GH74 (ClGH74a) enzyme in complex with LLG xyloglucan | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, GLYCEROL, ... | | Authors: | Stogios, P.J, Skarina, T, Arnal, G. | | Deposit date: | 2019-05-21 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Substrate specificity, regiospecificity, and processivity in glycoside hydrolase family 74.
J.Biol.Chem., 294, 2019
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6CR3
 | | Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CBr2, beta, gamma dATP analogue | | Descriptor: | 2'-deoxy-5'-O-[(R)-{[(R)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*TP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | Authors: | Batra, V.K, Wilson, S.H. | | Deposit date: | 2018-03-16 | | Release date: | 2018-06-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
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6OZI
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6CPM
 | | Structure of the USP15 deubiquitinase domain in complex with a third-generation inhibitory Ubv | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | | Authors: | Singer, A.U, Teyra, J, Boehmelt, G, Lenter, M, Sicheri, F, Sidhu, S.S. | | Deposit date: | 2018-03-13 | | Release date: | 2019-01-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.011 Å) | | Cite: | Structural and Functional Characterization of Ubiquitin Variant Inhibitors of USP15.
Structure, 27, 2019
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6PLX
 | | CryoEM structure of zebra fish alpha-1 glycine receptor bound with GABA in SMA, desensitized state | | Descriptor: | GAMMA-AMINO-BUTANOIC ACID, Glycine receptor subunit alphaZ1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Yu, J, Zhu, H, Gouaux, E. | | Deposit date: | 2019-07-01 | | Release date: | 2021-01-06 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Mechanism of gating and partial agonist action in the glycine receptor.
Cell, 184, 2021
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6CTJ
 | | Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CHCH3, beta, gamma dTTP analogue | | Descriptor: | 5'-O-[(R)-hydroxy({(R)-hydroxy[(1S)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]thymidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | Authors: | Batra, V.K, Wilson, S.H. | | Deposit date: | 2018-03-23 | | Release date: | 2018-06-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
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6CTT
 | | Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CHCL (R & S isomers, beta, gamma dCTP analogue | | Descriptor: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxycytidine, 5'-O-[(R)-{[(R)-[(S)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxycytidine, ... | | Authors: | Batra, V.K, Wilson, S.H. | | Deposit date: | 2018-03-23 | | Release date: | 2018-06-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
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6P2H
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6CWF
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6PGT
 | | Protein Tyrosine Phosphatase 1B (1-301), T177A mutant, vanadate bound state | | Descriptor: | GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION | | Authors: | Cui, D.S, Lipchock, J.M, Loria, J.P. | | Deposit date: | 2019-06-24 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
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6PH1
 | | T4 lysozyme pseudo-wild type soaked in TEMPOL | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, Endolysin, ... | | Authors: | Cuneo, M.J, Myles, D.A, Li, L. | | Deposit date: | 2019-06-25 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.632 Å) | | Cite: | Making hydrogens stand out: Enhanced neutron diffraction from biological crystals using dynamic nuclear polarization
To be published
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6PHA
 | | Protein Tyrosine Phosphatase 1B (1-301), F182A mutant, vanadate bound state | | Descriptor: | ACETATE ION, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, ... | | Authors: | Cui, D.S, Lipchock, J.M, Loria, J.P. | | Deposit date: | 2019-06-25 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.299 Å) | | Cite: | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
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6PIV
 | | Crystal structure of HCV NS3/4A D168A protease in complex with P4-7 (NR03-77) | | Descriptor: | (1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, 1,2-ETHANEDIOL, NS3/4A protease, ... | | Authors: | Zephyr, J, Schiffer, C.A. | | Deposit date: | 2019-06-27 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
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6PJ0
 | | Crystal structure of HCV NS3/4A D168A protease in complex with P4-5 (NR01-97) | | Descriptor: | 1,2-ETHANEDIOL, 1-ethylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, NS3/4 Aprotease, ... | | Authors: | Zephyr, J, Schiffer, C.A. | | Deposit date: | 2019-06-27 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
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6CTQ
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6CTW
 | | Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CCL2, beta, gamma dCTP analogue | | Descriptor: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 4-amino-1-{2-deoxy-5-O-[(R)-{[(R)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-L-threo-pentofuranosyl}pyrimidin-2(1H)-one, CHLORIDE ION, ... | | Authors: | Batra, V.K, Wilson, S.H. | | Deposit date: | 2018-03-23 | | Release date: | 2018-06-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.981 Å) | | Cite: | Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
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6CVX
 | | Crystal structure of HCV NS3/4A WT protease in complex with AJ-50 (MK-5172 linear analogue) | | Descriptor: | GLYCEROL, N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-{[7-methoxy-3-(propan-2-yl)quinoxalin-2-yl]oxy}-L-prolinamide, NS3 protease, ... | | Authors: | Matthew, A.N, Schiffer, C.A. | | Deposit date: | 2018-03-29 | | Release date: | 2018-08-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.779 Å) | | Cite: | Quinoxaline-Based Linear HCV NS3/4A Protease Inhibitors Exhibit Potent Activity against Drug Resistant Variants.
ACS Med Chem Lett, 9, 2018
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2RJI
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6CLX
 | | Crystal structure of TnmH in complex with SAM | | Descriptor: | O-methyltransferase, S-ADENOSYLMETHIONINE | | Authors: | Chang, C.Y, Annaval, T, Adhikari, A, Yan, X, Shen, B. | | Deposit date: | 2018-03-02 | | Release date: | 2019-03-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Characterization of TnmH as anO-Methyltransferase Revealing Insights into Tiancimycin Biosynthesis and Enabling a Biocatalytic Strategy To Prepare Antibody-Tiancimycin Conjugates.
J.Med.Chem., 63, 2020
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