6U1Z
 
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4OA5
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6UCN
 | | Multi-conformer model of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to Equilenin at 250 K | | Descriptor: | CHLORIDE ION, EQUILENIN, MAGNESIUM ION, ... | | Authors: | Yabukarski, F, Herschlag, D, Biel, J.T, Fraser, J.S. | | Deposit date: | 2019-09-16 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
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1XGE
 | | Dihydroorotase from Escherichia coli: Loop Movement and Cooperativity between subunits | | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, Dihydroorotase, N-CARBAMOYL-L-ASPARTATE, ... | | Authors: | Lee, M, Chan, C.W, Guss, J.M, Christopherson, R.I, Maher, M.J. | | Deposit date: | 2004-09-17 | | Release date: | 2005-04-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Dihydroorotase from Escherichia coli: Loop Movement and Cooperativity between Subunits
J.Mol.Biol., 348, 2005
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5LIT
 | | Structure of the DNA duplex d(AAATTT)2 with the potential antiparasitic drug 6XV at 1.25 A resolution | | Descriptor: | 4-((4,5-dihydro-1H-imidazol-2-yl)amino)-N-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)benzamide dihydrochloride, DNA (5'-D(*AP*AP*AP*TP*TP*T)-3'), MAGNESIUM ION | | Authors: | Millan, C.R, Dardonville, C, de Koning, H.P, Saperas, N, Lourdes Campos, J. | | Deposit date: | 2016-07-15 | | Release date: | 2017-06-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Functional and structural analysis of AT-specific minor groove binders that disrupt DNA-protein interactions and cause disintegration of the Trypanosoma brucei kinetoplast.
Nucleic Acids Res., 45, 2017
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7Q3V
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6UCY
 | | Multi-conformer model of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to 4-Androstenedione at 250 K | | Descriptor: | 4-ANDROSTENE-3-17-DIONE, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Yabukarski, F, Herschlag, D, Biel, J.T, Fraser, J.S. | | Deposit date: | 2019-09-18 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6MXR
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6UY4
 | | Crystal structure of dihydroorotate dehydrogenase from Schistosoma mansoni | | Descriptor: | 2-[(4-fluorophenyl)amino]-3-hydroxynaphthalene-1,4-dione, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Mori, R.M, Zapata, L.C.C, Nonato, M.C. | | Deposit date: | 2019-11-11 | | Release date: | 2020-05-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.796 Å) | | Cite: | Structural basis for the function and inhibition of dihydroorotate dehydrogenase from Schistosoma mansoni.
Febs J., 288, 2021
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6MY4
 | | Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98M,HC-G99M,LC-S30bR] | | Descriptor: | 1,2-ETHANEDIOL, anti-VEGF-A Fab fragment bH1 heavy chain, anti-VEGF-A Fab fragment bH1 light chain | | Authors: | Shi, R, Picard, M.-E, Manenda, M. | | Deposit date: | 2018-11-01 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
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5M4Z
 | | Crystal structure of the complex of T.spiralis thymidylate synthase with N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate, crystallized in the presence of N(5,10)-methylenetetrahydrofolate | | Descriptor: | GLYCEROL, Thymidylate synthase, [(2~{R},3~{S},5~{R})-5-[(4~{E})-4-hydroxyimino-2-oxidanylidene-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | | Authors: | Wilk, P, Maj, P, Jarmula, A, Dowiercial, A, Rode, W. | | Deposit date: | 2016-10-19 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.179 Å) | | Cite: | Molecular Mechanism of Thymidylate Synthase Inhibition by N 4 -Hydroxy-dCMP in View of Spectrophotometric and Crystallographic Studies.
Int J Mol Sci, 22, 2021
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6V7M
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6MXS
 | | Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98F,HC-G99M] | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ... | | Authors: | Shi, R, Picard, M.-E, Manenda, M.S. | | Deposit date: | 2018-10-31 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
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6MY5
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7CYG
 | | Crystal structure of a cysteine-pair mutant (Y113C-P190C) of a bacterial bile acid transporter before disulfide bond formation | | Descriptor: | Transporter, sodium/bile acid symporter family | | Authors: | Wang, X, Lyu, Y, Ji, Y, Sun, Z, Zhou, X. | | Deposit date: | 2020-09-03 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.198 Å) | | Cite: | An engineered disulfide bridge traps and validates an outward-facing conformation in a bile acid transporter.
Acta Crystallogr D Struct Biol, 77, 2021
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7CYK
 | | Crystal structure of a second cysteine-pair mutant (V110C-I197C) of a bacterial bile acid transporter before disulfide bond formation | | Descriptor: | MERCURY (II) ION, Transporter, sodium/bile acid symporter family | | Authors: | Wang, X, Lyu, Y, Ji, Y, Sun, Z, Zhou, X. | | Deposit date: | 2020-09-03 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.785 Å) | | Cite: | An engineered disulfide bridge traps and validates an outward-facing conformation in a bile acid transporter.
Acta Crystallogr D Struct Biol, 77, 2021
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5NBK
 | | NDM-1 metallo-beta-lactamase: a parsimonious interpretation of the diffraction data | | Descriptor: | CHLORIDE ION, HEXAETHYLENE GLYCOL, Metallo-beta-lactamase type 2, ... | | Authors: | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A. | | Deposit date: | 2017-03-02 | | Release date: | 2018-10-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
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7D1D
 | | Crystal structure of Bacteroides thetaiotaomicron glutaminyl cyclase bound to 1-benzylimidazole | | Descriptor: | 1-BENZYL-1H-IMIDAZOLE, Glutamine cyclotransferase, ZINC ION | | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | | Deposit date: | 2020-09-14 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
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7D17
 | | Crystal structure of Macrostomum lignano glutaminyl cyclase | | Descriptor: | Glutaminyl-peptide cyclotransferase, ZINC ION | | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | | Deposit date: | 2020-09-14 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.998 Å) | | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
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7D1E
 | | Crystal structure of Bacteroides thetaiotaomicron glutaminyl cyclase bound to N-acetylhistamine | | Descriptor: | Leucine aminopeptidase, N-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDE, ZINC ION | | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | | Deposit date: | 2020-09-14 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
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8H3W
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6PX2
 | | Acropora millepora GAPDH | | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION | | Authors: | Brandt, G.S, Fields, P.A. | | Deposit date: | 2019-07-24 | | Release date: | 2019-12-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Thermal stability and structure of glyceraldehyde-3-phosphate dehydrogenase from the coral Acropora millepora.
Rsc Adv, 11, 2021
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8HIT
 | | Crystal structure of anti-CTLA-4 humanized IgG1 MAb--JS007 in complex with human CTLA-4 | | Descriptor: | Cytotoxic T-lymphocyte protein 4, JS007-VH, JS007-VL | | Authors: | Tan, S, Shi, Y, Wang, Q, Gao, G.F, Guan, J, Chai, Y, Qi, J. | | Deposit date: | 2022-11-21 | | Release date: | 2023-02-01 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Characterization of the high-affinity anti-CTLA-4 monoclonal antibody JS007 for immune checkpoint therapy of cancer.
Mabs, 15, 2023
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8I5R
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8I5O
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