6WXM
 
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6WC1
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5OMG
 | | p38alpha in complex with pyrazolobenzothiazine inhibitor COXP4M12 | | Descriptor: | 3-(4-fluorophenyl)-4-methyl-1~{H}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Buehrmann, M, Rauh, D. | | Deposit date: | 2017-07-31 | | Release date: | 2019-03-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Co-crystal structure determination and cellular evaluation of 1,4-dihydropyrazolo[4,3-c] [1,2] benzothiazine 5,5-dioxide p38 alpha MAPK inhibitors.
Biochem.Biophys.Res.Commun., 511, 2019
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1ZRH
 | | Crystal structure of Human heparan sulfate glucosamine 3-O-sulfotransferase 1 in complex with PAP | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Heparan sulfate glucosamine 3-O-sulfotransferase 1 | | Authors: | Dong, A, Dombrovski, L, Loppnau, P, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-05-19 | | Release date: | 2005-06-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of Human heparan sulfate glucosamine 3-O-sulfotransferase 1 in complex with PAP
To be Published
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2AD1
 | | Human Sulfotransferase SULT1C2 | | Descriptor: | Sulfotransferase 1C2 | | Authors: | Dong, A, Dombrovski, L, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-07-19 | | Release date: | 2005-08-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and chemical profiling of the human cytosolic sulfotransferases.
Plos Biol., 5, 2007
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1ZD9
 | | Structure of human ADP-ribosylation factor-like 10B | | Descriptor: | ADP-ribosylation factor-like 10B, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Choe, J, Atanassova, A, Arrowsmith, C, Edwards, A, Sundstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-04-14 | | Release date: | 2005-05-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of human ADP-ribosylation factor-like 10B
to be published
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2V79
 | | Crystal Structure of the N-terminal domain of DnaD from Bacillus Subtilis | | Descriptor: | CHLORIDE ION, DNA REPLICATION PROTEIN DNAD, SODIUM ION | | Authors: | Schneider, S, Zhang, W, Soultanas, P, Paoli, M. | | Deposit date: | 2007-07-27 | | Release date: | 2008-01-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the N-Terminal Oligomerization Domain of Dnad Reveals a Unique Tetramerization Motif and Provides Insights Into Scaffold Formation.
J.Mol.Biol., 376, 2008
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1ZD1
 | | Human Sulfortransferase SULT4A1 | | Descriptor: | GLYCEROL, Sulfotransferase 4A1 | | Authors: | Dong, A, Dombrovski, L, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Sundstrom, M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-04-13 | | Release date: | 2005-04-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structural and chemical profiling of the human cytosolic sulfotransferases.
Plos Biol., 5, 2007
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2VOE
 | | Crystal structure of Rv2780 from M. tuberculosis H37Rv | | Descriptor: | ALANINE DEHYDROGENASE | | Authors: | Tripathi, S.M, Ramachandran, R. | | Deposit date: | 2008-02-17 | | Release date: | 2008-03-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structures of the Mycobacterium Tuberculosis Secretory Antigen Alanine Dehydrogenase (Rv2780) in Apo and Ternary Complex Forms Captures "Open" and "Closed" Enzyme Conformations.
Proteins, 72, 2008
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2Y4M
 | | MANNOSYLGLYCERATE SYNTHASE IN COMPLEX WITH GDP-Mannose | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GUANOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), ... | | Authors: | Nielsen, M.M, Suits, M.D.L, Yang, M, Barry, C.S, Martinez-Fleites, C, Tailford, L.E, Flint, J.E, Davis, B.G, Davies, G.J, Gilbert, H.J. | | Deposit date: | 2011-01-07 | | Release date: | 2011-02-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Substrate and Metal Ion Promiscuity in Mannosylglycerate Synthase.
J.Biol.Chem., 286, 2011
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1YZG
 | | Structure of Human ADP-ribosylation factor-like 8 | | Descriptor: | ADP-ribosylation factor-like 8, GUANOSINE-5'-DIPHOSPHATE | | Authors: | Choe, J, Atanassova, A, Arrowsmith, C, Edwards, A, Sundstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-02-28 | | Release date: | 2005-03-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of Human ADP-ribosylation factor-like 8
To be Published, 2005
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2A14
 | | Crystal Structure of Human Indolethylamine N-methyltransferase with SAH | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, indolethylamine N-methyltransferase | | Authors: | Dong, A, Wu, H, Zeng, H, Loppnau, P, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-06-17 | | Release date: | 2005-06-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Crystal Structure of Human Indolethylamine
N-methyltransferase in complex with SAH.
To be Published
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2AMX
 | | Crystal structure of Plasmodium Yoelii Adenosine deaminase (PY02076) | | Descriptor: | COBALT (II) ION, UNKNOWN ATOM OR ION, adenosine deaminase | | Authors: | Dong, A, Vedadi, M, Wasney, G, Zhao, Y, Lew, J, Alam, Z, Melone, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-08-10 | | Release date: | 2005-09-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
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6R5L
 | | Fragment AZ-006 binding at the p53pT387/14-3-3 sigma interface | | Descriptor: | 14-3-3 protein sigma, 4-[[(2~{S})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ... | | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C. | | Deposit date: | 2019-03-25 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.884 Å) | | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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5OV9
 | | Crystal structure of Acetylcholinesterase in complex with Crystal Violet | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-ETHOXYETHOXY)ETHANOL, 2-(2-METHOXYETHOXY)ETHANOL, ... | | Authors: | Allgardsson, A, Andersson, C.D, Akfur, C, Worek, F, Linusson, A, Ekstrom, F. | | Deposit date: | 2017-08-28 | | Release date: | 2017-09-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | An Unusual Dimeric Inhibitor of Acetylcholinesterase: Cooperative Binding of Crystal Violet.
Molecules, 22, 2017
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5OWZ
 | | Glycogen Phosphorylase in complex with KS172 | | Descriptor: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-[4-(trifluoromethyl)phenyl]-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | | Authors: | Kyriakis, E, Stravodimos, G.A, Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D. | | Deposit date: | 2017-09-05 | | Release date: | 2018-02-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Probing the beta-pocket of the active site of human liver glycogen phosphorylase with 3-(C-beta-d-glucopyranosyl)-5-(4-substituted-phenyl)-1, 2, 4-triazole inhibitors.
Bioorg. Chem., 77, 2018
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6RLV
 | | Trypanosoma brucei Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine | | Descriptor: | 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine, GLYCEROL, MALONATE ION, ... | | Authors: | Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2019-05-02 | | Release date: | 2020-01-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
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6RK8
 | | Fragment AZ-014 binding at the p53pT387/14-3-3 sigma interface | | Descriptor: | 14-3-3 protein sigma, 7-(3-azanyl-4-methyl-pyrazol-1-yl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ... | | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | | Deposit date: | 2019-04-30 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.602 Å) | | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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6RW1
 | | Crystal structure of hCA II in complex with Urea, N-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)-N'-(phenylmethyl)- | | Descriptor: | 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-4-yl]-3-(phenylmethyl)thiourea, Carbonic anhydrase 2, ZINC ION | | Authors: | Di Fiore, A, De Simone, G. | | Deposit date: | 2019-06-03 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Exploring benzoxaborole derivatives as carbonic anhydrase inhibitors: a structural and computational analysis reveals their conformational variability as a tool to increase enzyme selectivity.
J Enzyme Inhib Med Chem, 34, 2019
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6RKK
 | | Fragment AZ-021 binding at the p53pT387/14-3-3 sigma interface | | Descriptor: | 14-3-3 protein sigma, 4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide, CHLORIDE ION, ... | | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | | Deposit date: | 2019-04-30 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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6RLU
 | | Trypanosoma brucei Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)cytidine | | Descriptor: | 5'-O-(N-(L-seryl)-sulfamoyl)cytidine, GLYCEROL, MALONATE ION, ... | | Authors: | Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2019-05-02 | | Release date: | 2020-01-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
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6RJE
 | | Lysostaphin SH3b P4-G5 complex, homesource dataset | | Descriptor: | (2~{R})-2-[[(2~{S})-2-[[(4~{R})-5-azanyl-4-[[(2~{S})-2-azanylpropanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-6-[2-[2-[2-[2-(2-azanylethanoylamino)ethanoylamino]ethanoylamino]ethanoylamino]ethanoylamino]hexanoyl]amino]propanoic acid, Lysostaphin | | Authors: | Walters-Morgan, H, Lovering, A.L. | | Deposit date: | 2019-04-26 | | Release date: | 2019-10-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Two-site recognition of Staphylococcus aureus peptidoglycan by lysostaphin SH3b.
Nat.Chem.Biol., 16, 2020
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5IUL
 | | Crystal structure of the DesK-DesR complex in the phosphotransfer state with high Mg2+ (150 mM) and BeF3 | | Descriptor: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | | Authors: | Trajtenberg, F, Imelio, J.A, Larrieux, N, Buschiazzo, A. | | Deposit date: | 2016-03-18 | | Release date: | 2016-12-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.153 Å) | | Cite: | Regulation of signaling directionality revealed by 3D snapshots of a kinase:regulator complex in action.
Elife, 5, 2016
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6RLT
 | | Trypanosoma brucei Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-Sulfamoyl)uridine | | Descriptor: | 5'-O-(N-(L-seryl)-Sulfamoyl)uridine, GLYCEROL, MALONATE ION, ... | | Authors: | Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2019-05-02 | | Release date: | 2020-01-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
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6RMX
 | | Human Carbonic anhydrase II mutant T199V bound by 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide | | Descriptor: | 2-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, BENZOIC ACID, Carbonic anhydrase 2, ... | | Authors: | Smirnov, A, Paketuryte, V, Manakova, E, Grazulis, S. | | Deposit date: | 2019-05-07 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Human Carbonic anhydrase II mutant T199V bound by 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide
To Be Published
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