6T2O
 
 | | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glycosyl hydrolase family 16 | | Authors: | Crouch, L.I, Liberato, M.V, Ubranowicz, P.A, Basle, A, Lamb, C.A, Cooke, K, Doona, M, Needham, S, Brady, R.R, Berrington, J.E, Madubic, K, Chater, P, Zhang, F, Linhardt, R.J, Spence, D.I.R, Bolam, D.N. | | Deposit date: | 2019-10-09 | | Release date: | 2020-07-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown.
Nat Commun, 11, 2020
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8ZMQ
 | | Crystal Structure of the second bromodomain of human BRD4 BD2 in complex with the inhibitor Y13190 | | Descriptor: | 2-(2-(adamantan-1-yl)-4-ethyl-1H-imidazol-5-yl)-7-(2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl)-5-methylfuro[3,2-c]pyridin-4(5H)-one, BRD4_HUMAN, DIMETHYL SULFOXIDE, ... | | Authors: | Li, J, Hu, Q, Xu, H, Zhao, X, Zhang, C, Zhu, R, Wu, X, Zhang, Y, Xu, Y. | | Deposit date: | 2024-05-23 | | Release date: | 2024-12-11 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of the First BRD4 Second Bromodomain (BD2)-Selective Inhibitors.
J.Med.Chem., 67, 2024
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8F95
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7P3V
 | | B-Raf V600E structure bound to a new inhibitor | | Descriptor: | Serine/threonine-protein kinase B-raf, ~{N}-[3-[5-(2-azanylpyrimidin-4-yl)-2-[(3~{S})-morpholin-3-yl]-1,3-thiazol-4-yl]-2-fluoranyl-phenyl]-2,5-bis(fluoranyl)benzenesulfonamide | | Authors: | Schneider, M, Gelin, M, Cohen-Gonsaud, M, Labesse, G. | | Deposit date: | 2021-07-08 | | Release date: | 2021-11-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structure-Based and Knowledge-Informed Design of B-Raf Inhibitors Devoid of Deleterious PXR Binding.
J.Med.Chem., 65, 2022
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8FA6
 | | Crystal structure of Ky15.10 Fab in complex with circumsporozoite protein DND peptide | | Descriptor: | 1,2-ETHANEDIOL, Circumsporozoite protein DND peptide, Ky15.10 Antibody, ... | | Authors: | Thai, E, Prieto, K, Julien, J.P. | | Deposit date: | 2022-11-25 | | Release date: | 2023-11-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein.
Cell Rep, 42, 2023
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8RAV
 | | The crystal structure of DNA-bound human MutSbeta (MSH2/MSH3) in the canonical mismatch bound conformation with ADP bound in MSH2 | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*TP*CP*AP*TP*CP*GP*AP*TP*CP*GP*CP*AP*GP*CP*TP*TP*CP*AP*GP*AP*TP*AP*GP*G)-3'), ... | | Authors: | Thomsen, M, Neudegger, T, Thieulin-Pardo, G, Blaesse, M, Costanzi, E, Steinbacher, S, Plotnikov, N.V, Dominguez, C, Iyer, R.R, Wilkinson, H.A, Monteagudo, E, Haque, T.S, Prasad, B.C, Finley, M, Boudet, J, Vogt, T.F, Felsenfeld, D.P. | | Deposit date: | 2023-12-01 | | Release date: | 2025-06-11 | | Last modified: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | The crystal structure of DNA-bound human MutSbeta (MSH2/MSH3) in the canonical mismatch bound conformation with ADP bound in MSH2 and MSH3
To Be Published
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8RB0
 | | The crystal structure of DNA-bound human MutSbeta (MSH2_E749A/MSH3) in the canonical mismatch bound conformation with ADP bound in MSH2 | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Thomsen, M, Neudegger, T, Thieulin-Pardo, G, Blaesse, M, Costanzi, E, Steinbacher, S, Plotnikov, N.V, Dominguez, C, Iyer, R.R, Wilkinson, H.A, Monteagudo, E, Haque, T.S, Prasad, B.C, Finley, M, Boudet, J, Vogt, T.F, Felsenfeld, D.P. | | Deposit date: | 2023-12-01 | | Release date: | 2025-06-11 | | Last modified: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | The crystal structure of DNA-bound human MutSbeta (MSH2/MSH3) in the canonical mismatch bound conformation with ADP bound in MSH2 and MSH3
To Be Published
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8F9V
 | | Crystal structure of Ky15.8 Fab in complex with circumsporozoite protein KQPA peptide | | Descriptor: | 1,2-ETHANEDIOL, Circumsporozoite protein KQPA peptide, Ky15.8 Antibody, ... | | Authors: | Thai, E, Prieto, K, Julien, J.P. | | Deposit date: | 2022-11-24 | | Release date: | 2023-11-01 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein.
Cell Rep, 42, 2023
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8RAW
 | | The crystal structure of DNA-bound human MutSbeta (MSH2/MSH3_G901D) in the canonical mismatch bound conformation with ADP bound in MSH2 | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*TP*CP*AP*TP*CP*GP*AP*TP*CP*GP*CP*AP*GP*CP*TP*TP*CP*AP*GP*AP*T)-3'), ... | | Authors: | Thomsen, M, Neudegger, T, Thieulin-Pardo, G, Blaesse, M, Costanzi, E, Steinbacher, S, Plotnikov, N.V, Dominguez, C, Iyer, R.R, Wilkinson, H.A, Monteagudo, E, Haque, T.S, Prasad, B.C, Finley, M, Boudet, J, Vogt, T.F, Felsenfeld, D.P. | | Deposit date: | 2023-12-01 | | Release date: | 2025-06-11 | | Last modified: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | The crystal structure of DNA-bound human MutSbeta (MSH2/MSH3) in the canonical mismatch bound conformation with ADP bound in MSH2 and MSH3
To Be Published
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8RB1
 | | The crystal structure of DNA-bound human MutSbeta (MSH2_K675R/MSH3_K902R) in the canonical mismatch bound conformation with ADP bound in MSH2 and MSH3 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Thomsen, M, Neudegger, T, Thieulin-Pardo, G, Blaesse, M, Costanzi, E, Steinbacher, S, Plotnikov, N.V, Dominguez, C, Iyer, R.R, Wilkinson, H.A, Monteagudo, E, Haque, T.S, Prasad, B.C, Finley, M, Boudet, J, Vogt, T.F, Felsenfeld, D.P. | | Deposit date: | 2023-12-01 | | Release date: | 2025-06-11 | | Last modified: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (2.085 Å) | | Cite: | The crystal structure of DNA-bound human MutSbeta (MSH2/MSH3) in the canonical mismatch bound conformation with ADP bound in MSH2 and MSH3
To Be Published
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8FB7
 | | Crystal structure of Ky15.10 Fab in complex with circumsporozoite protein NPDP peptide | | Descriptor: | 1,2-ETHANEDIOL, Circumsporozoite protein NPDP peptide, Ky15.10 Antibody, ... | | Authors: | Prieto, K, Thai, E, Julien, J.P. | | Deposit date: | 2022-11-29 | | Release date: | 2023-11-01 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein.
Cell Rep, 42, 2023
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7OSE
 | | cytochrome bd-II type oxidase with bound aurachin D | | Descriptor: | Aurachin D, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Cytochrome bd-II ubiquinol oxidase subunit 1, ... | | Authors: | Grauel, A, Kaegi, J, Rasmussen, T, Wohlwend, D, Boettcher, B, Friedrich, T. | | Deposit date: | 2021-06-08 | | Release date: | 2021-11-17 | | Last modified: | 2023-09-20 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure of Escherichia coli cytochrome bd-II type oxidase with bound aurachin D.
Nat Commun, 12, 2021
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8AIF
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8WFI
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8HZC
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6NV8
 | | Perdeuterated tyrosine phenol-lyase from Citrobacter freundii complexed with an aminoacrylate intermediate formed from S-ethyl-L-cysteine and 4-hydroxypyridine | | Descriptor: | 2-AMINO-ACRYLIC ACID, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ... | | Authors: | Phillips, R.S. | | Deposit date: | 2019-02-04 | | Release date: | 2020-02-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Pressure and Temperature Effects on the Formation of Aminoacrylate Intermediates of Tyrosine Phenol-lyase Demonstrate Reaction Dynamics
Acs Catalysis, 10, 2020
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8Z2R
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6Y4A
 | | Crystal structure of the M295I variant of Ssl1 | | Descriptor: | COPPER (II) ION, Copper oxidase | | Authors: | Mielenbrink, S, Olbrich, A, Urlacher, V, Span, I. | | Deposit date: | 2020-02-20 | | Release date: | 2021-09-01 | | Last modified: | 2024-12-04 | | Method: | X-RAY DIFFRACTION (1.785 Å) | | Cite: | Substitution of the axial Type 1 Cu Ligand Afford Binding of a Water Molecule in Axial Position Affecting Kinetics, Spectral, and Structural Properties of the Small Laccase Ssl1.
Chemistry, 2024
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8AGR
 | | Crystal structure of DltE from L. plantarum, apo form | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase family protein, SULFATE ION | | Authors: | Ravaud, S, Nikolopoulos, N, Grangeasse, C. | | Deposit date: | 2022-07-20 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structure-function analysis of Lactiplantibacillus plantarum DltE& reveals D-alanylated lipoteichoic acids as direct cues supporting Drosophila juvenile growth.
Elife, 12, 2023
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6WDW
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7OS6
 | | Crystal structure of Rhizobium etli inducible L-asparaginase ReAV (monoclinic form MP1) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, ETHANOL, ... | | Authors: | Loch, J.I, Imiolczyk, B, Gilski, M, Jaskolski, M. | | Deposit date: | 2021-06-07 | | Release date: | 2021-11-24 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Crystal structures of the elusive Rhizobium etli L-asparaginase reveal a peculiar active site.
Nat Commun, 12, 2021
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7REL
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5UZL
 | | Brassica napus DGAT1 exosite | | Descriptor: | O-acyltransferase | | Authors: | Acedo, J.Z, Vederas, J.C. | | Deposit date: | 2017-02-26 | | Release date: | 2018-01-03 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Diacylglycerol Acyltransferase 1 Is Regulated by Its N-Terminal Domain in Response to Allosteric Effectors.
Plant Physiol., 175, 2017
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8Z2S
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6NYP
 | | Crystal structure of UL144/BTLA complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, B- and T-lymphocyte attenuator, GLYCEROL, ... | | Authors: | Aruna, B, Zajonc, D.M, Doukov, T. | | Deposit date: | 2019-02-11 | | Release date: | 2019-05-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of human cytomegalovirus UL144, an HVEM orthologue, bound to the B and T cell lymphocyte attenuator.
J.Biol.Chem., 294, 2019
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