7UNH
 
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7UUK
 | | Crystal structure of aminoglycoside resistance enzyme ApmA, complex with tobramycin | | Descriptor: | Aminocyclitol acetyltransferase ApmA, CHLORIDE ION, TOBRAMYCIN | | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Bordeleau, E, Wright, G.D, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2022-04-28 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Mechanistic plasticity in ApmA enables aminoglycoside promiscuity for resistance.
Nat.Chem.Biol., 20, 2024
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7ULR
 | | recombinant kappa-bungarotoxin | | Descriptor: | Kappa-bungarotoxin | | Authors: | Xu, J, Lei, X, Chen, L. | | Deposit date: | 2022-04-05 | | Release date: | 2023-05-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of recombinant kappa-bungarotoxin at 1.8 Angstroms resolution.
To Be Published
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7ULB
 | | recombinant Mambalgin-1 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Mambalgin-1 | | Authors: | Xu, J, Lei, X, Chen, L. | | Deposit date: | 2022-04-04 | | Release date: | 2023-05-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structure of recombinant mambalgin at 2.49 Angstroms resolution.
To Be Published
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7ULQ
 | | Recombinant Hannalgesin | | Descriptor: | ACETATE ION, GLYCEROL, Long neurotoxin OH-55, ... | | Authors: | Xu, J, Lei, X, Chen, L. | | Deposit date: | 2022-04-05 | | Release date: | 2023-05-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of recombinant Hannalgesin at 2.2 Angstroms resolution.
To Be Published
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4R65
 | | Ternary complex crystal structure of R258A mutant of DNA polymerase Beta | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 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, Beard, W.A, Wilson, S.H. | | Deposit date: | 2014-08-22 | | Release date: | 2014-10-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Substrate-induced DNA Polymerase beta Activation.
J.Biol.Chem., 289, 2014
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4R63
 | | Binary complex crystal structure of R258A mutant of DNA polymerase Beta | | Descriptor: | DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | | Authors: | Batra, V.K, Beard, W.A, Wilson, S.H. | | Deposit date: | 2014-08-22 | | Release date: | 2014-10-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Substrate-induced DNA Polymerase beta Activation.
J.Biol.Chem., 289, 2014
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4P7H
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7UG1
 | | CDK2 liganded with para chloro ANS | | Descriptor: | 1,2-ETHANEDIOL, 8-(4-chloroanilino)naphthalene-1-sulfonic acid, Cyclin-dependent kinase 2, ... | | Authors: | Schonbrunn, E, Martin, M. | | Deposit date: | 2022-03-23 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Allosteric inhibitors of CDK2
To Be Published
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7V0N
 | | Cryo-EM structure of SINV/EEEV in complex with Fab fragment of a moderately/weakly neutralizing human antibody IgG-21 | | Descriptor: | IgG 21 Fab heavy chain, IgG 21 Fab light chain, Spike glycoprotein E1, ... | | Authors: | Bandyopadhyay, A, Klose, T, Kuhn, R.J. | | Deposit date: | 2022-05-10 | | Release date: | 2023-04-05 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (5.9 Å) | | Cite: | Structural constraints link differences in neutralization potency of human anti-Eastern equine encephalitis virus monoclonal antibodies.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7V0O
 | | Cryo-EM structure of SINV/EEEV in complex with Fab fragment of a moderately/weakly neutralizing human antibody IgG-94 | | Descriptor: | IgG 94 Fab heavy chain, IgG 94 Fab light chain, Spike glycoprotein E1, ... | | Authors: | Bandyopadhyay, A, Klose, T, Kuhn, R.J. | | Deposit date: | 2022-05-10 | | Release date: | 2023-04-05 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (6.6 Å) | | Cite: | Structural constraints link differences in neutralization potency of human anti-Eastern equine encephalitis virus monoclonal antibodies.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7V0P
 | | Cryo-EM structure of SINV/EEEV in complex with Fab fragment of a potently neutralizing human antibody IgG-106 | | Descriptor: | IgG 106 Fab heavy chain, IgG 106 Fab light chain, Spike glycoprotein E1, ... | | Authors: | Bandyopadhyay, A, Klose, T, Kuhn, R.J. | | Deposit date: | 2022-05-10 | | Release date: | 2023-04-05 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (5.2 Å) | | Cite: | Structural constraints link differences in neutralization potency of human anti-Eastern equine encephalitis virus monoclonal antibodies.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7UGE
 | | Bromodomain of CBP liganded with BMS-536924 | | Descriptor: | (3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one, 1,2-ETHANEDIOL, Histone acetyltransferase | | Authors: | Schonbrunn, E, Bikowitz, M. | | Deposit date: | 2022-03-24 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.004 Å) | | Cite: | Structural basis of CBP and EP300 interaction with kinase inhibitors
To Be Published
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7UGI
 | | Bromodomain of EP300 liganded with BMS-536924 | | Descriptor: | (3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one, 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ... | | Authors: | Schonbrunn, E, Bikowitz, M. | | Deposit date: | 2022-03-24 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of CBP and EP300 interaction with kinase inhibitors
To Be Published
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4RT3
 | | Ternary complex crystal structure of DNA polymerase Beta with (alpha, beta)-NH-(beta,gamma)-CH2-dTTP | | Descriptor: | 2'-deoxy-5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]amino}phosphoryl]-3,4-dihydrothymidine, 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: | 2014-11-12 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Two Scaffolds from Two Flips: (alpha, beta)/(beta, gamma) CH2/NH "Met-Im" Analogues of dTTP.
Org.Lett., 17, 2015
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4S2G
 | | Joint X-ray/neutron structure of Trichoderma reesei xylanase II at pH 5.8 | | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION | | Authors: | Kovalevsky, A, Wan, Q, Langan, P. | | Deposit date: | 2015-01-20 | | Release date: | 2015-09-23 | | Last modified: | 2019-12-25 | | Method: | NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION | | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
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7VUS
 | | Crystal structure of AlleyCat9 with 5-nitro-benzotriazole | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-nitro-1H-benzotriazole, AlleyCat, ... | | Authors: | Tame, J.R.H, Korendovych, I.V, Margheritis, E, Takahashi, K. | | Deposit date: | 2021-11-04 | | Release date: | 2022-07-27 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | NMR-guided directed evolution.
Nature, 610, 2022
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7VUR
 | | Crystal structure of AlleyCat9 with calcium but no inhibitor | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, AlleyCat, CALCIUM ION | | Authors: | Margheritis, E, Takahashi, K, Korendovych, I.V, Tame, J.R.H. | | Deposit date: | 2021-11-04 | | Release date: | 2022-07-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | NMR-guided directed evolution.
Nature, 610, 2022
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7VUC
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7VUU
 | | Crystal structure of AlleyCat10 with inhibitor | | Descriptor: | 5-nitro-1H-benzotriazole, AlleyCat, CALCIUM ION | | Authors: | Tame, J.R.H, Korendovych, I.V, Margheritis, E, Takahashi, K. | | Deposit date: | 2021-11-04 | | Release date: | 2022-07-27 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | NMR-guided directed evolution.
Nature, 610, 2022
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7VUT
 | | Crystal structure of AlleyCat10 | | Descriptor: | AlleyCat10, CALCIUM ION | | Authors: | Tame, J.R.H, Korendovych, I.V, Margheritis, E, Takahashi, K. | | Deposit date: | 2021-11-04 | | Release date: | 2022-07-27 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | NMR-guided directed evolution.
Nature, 610, 2022
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4QDP
 | | Joint X-ray and neutron structure of Streptomyces rubiginosus D-xylose isomerase in complex with two Cd2+ ions and cyclic beta-L-arabinose | | Descriptor: | CADMIUM ION, Xylose isomerase, beta-L-arabinopyranose | | Authors: | Kovalevsky, A.Y, Langan, P. | | Deposit date: | 2014-05-14 | | Release date: | 2014-09-03 | | Last modified: | 2024-02-28 | | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | | Cite: | L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
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7V12
 | | Factor XIa in Complex with Compound 2f | | Descriptor: | 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-fluoranyl-pyridin-2-amine, CITRIC ACID, Coagulation factor XIa light chain | | Authors: | Shaffer, P.L, Spurlino, J, Milligan, C.M. | | Deposit date: | 2022-05-11 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.631 Å) | | Cite: | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
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7UMA
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7UUL
 | | Crystal structure of aminoglycoside resistance enzyme ApmA, complex with kanamycin B and coenzyme A | | Descriptor: | (1R,2S,3S,4R,6S)-4,6-DIAMINO-3-[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE, 1,2-ETHANEDIOL, Aminocyclitol acetyltransferase ApmA, ... | | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Bordeleau, E, Wright, G.D, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2022-04-28 | | Release date: | 2022-11-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Mechanistic plasticity in ApmA enables aminoglycoside promiscuity for resistance.
Nat.Chem.Biol., 20, 2024
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