3KET
 
 | | Crystal structure of a Rex-family transcriptional regulatory protein from Streptococcus agalactiae bound to a palindromic operator | | Descriptor: | DNA (5'-D(*AP*AP*TP*TP*GP*TP*GP*AP*AP*AP*T)-3'), DNA (5'-D(P*AP*TP*TP*TP*CP*AP*CP*AP*AP*TP*T)-3'), MAGNESIUM ION, ... | | Authors: | Thiyagarajan, S, Logan, D, von Wachenfeldt, C. | | Deposit date: | 2009-10-26 | | Release date: | 2010-11-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | NAD+ pool depletion as a signal for the Rex regulon involved in Streptococcus agalactiae virulence.
Plos Pathog., 17, 2021
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3L21
 | | The crystal structure of a dimeric mutant of dihydrodipicolinate synthase (DAPA, RV2753C) from Mycobacterium Tuberculosis - DHDPS-A204R | | Descriptor: | ACETATE ION, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | Authors: | Evans, G.L, Schuldt, L, Jamerson, G.B, Devenish, S.R, Weiss, M.S, Gerrard, J.A. | | Deposit date: | 2009-12-14 | | Release date: | 2010-12-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A dimeric mutant of DHDPS from Mycobacterium tuberculosis
To be Published
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3KVH
 | | Crystal structure of human protein syndesmos (NUDT16-like protein) | | Descriptor: | CHLORIDE ION, GLYCEROL, Protein syndesmos | | Authors: | Tresaugues, L, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Kotzsch, A, Kraulis, P, Moche, M, Nielsen, T.K, Nyman, T, Persson, C, Roos, A.K, Schuler, H, Schutz, P, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-11-30 | | Release date: | 2010-01-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of human protein syndesmos (NUDT16L1)
To be Published
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3L9J
 | | Selection of a novel highly specific TNFalpha antagonist: Insight from the crystal structure of the antagonist-TNFalpha complex | | Descriptor: | MAGNESIUM ION, TNFalpha, Tumor necrosis factor, ... | | Authors: | Byla, P, Andersen, M.H, Thogersen, H.C, Gad, H.H, Hartmann, R. | | Deposit date: | 2010-01-05 | | Release date: | 2010-02-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Selection of a novel and highly specific TNF{alpha} antagonist: insight from the crystal structure of the antagonist-TNF{alpha} complex
J.Biol.Chem., 285, 2010
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2UYW
 | | Crystal structure of Xenavidin | | Descriptor: | BIOTIN, FORMIC ACID, XENAVIDIN | | Authors: | Helppolainen, S.H, Maatta, J.A.E, Airenne, T.T, Johnson, M.S, Kulomaa, M.S, Nordlund, H.R. | | Deposit date: | 2007-04-20 | | Release date: | 2008-05-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and Functional Characteristics of Xenavidin, the First Frog Avidin from Xenopus Tropicalis.
Bmc Struct.Biol., 9, 2009
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3HKV
 | | Human poly(ADP-ribose) polymerase 10, catalytic fragment in complex with an inhibitor 3-aminobenzamide | | Descriptor: | 3-aminobenzamide, PHOSPHATE ION, Poly [ADP-ribose] polymerase 10, ... | | Authors: | Karlberg, T, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kotenyova, T, Kotzsch, A, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Sagemark, J, Schutz, P, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-05-26 | | Release date: | 2009-06-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Human Poly(Adp-Ribose) Polymerase 10, Catalytic Fragment in Complex with an Inhibitor 3-Aminobenzamide
To be Published
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3KEQ
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3LSI
 | | Pyranose 2-oxidase T169A, tetragonal | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Pyranose 2-oxidase | | Authors: | Tan, T.C, Spadiut, O, Divne, C. | | Deposit date: | 2010-02-12 | | Release date: | 2010-08-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | H-bonding and positive charge at the N5/O4 locus are critical for covalent flavin attachment in trametes pyranose 2-oxidase.
J.Mol.Biol., 402, 2010
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3LSM
 | | Pyranose 2-oxidase H167A mutant with flavin N(5) sulfite adduct | | Descriptor: | (S)-10-((2S,3S,4R)-5-((S)-((S)-(((2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHOXY)(HYDROXY)PHOSPHORYLOXY)(HYDROXY)PHOSPHORYLOXY)-2,3,4-TRIHYDROXYPENTYL)-7,8-DIMETHYL-2,4-DIOXO-2,3,4,4A-TETRAHYDROBENZO[G]PTERIDINE-5(10H)-SULFONIC ACID, DODECAETHYLENE GLYCOL, Pyranose 2-oxidase, ... | | Authors: | Tan, T.C, Spadiut, O, Divne, C. | | Deposit date: | 2010-02-12 | | Release date: | 2010-08-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | H-bonding and positive charge at the N5/O4 locus are critical for covalent flavin attachment in trametes pyranose 2-oxidase.
J.Mol.Biol., 402, 2010
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3LA8
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2XNB
 | | Discovery and Characterisation of 2-Anilino-4-(thiazol-5-yl) pyrimidine Transcriptional CDK Inhibitors as Anticancer Agents | | Descriptor: | 3,4-DIMETHYL-5-(2-{[(1Z)-4-PIPERAZIN-1-YLCYCLOHEXA-2,4-DIEN-1-YLIDENE]AMINO}PYRIMIDIN-4-YL)-1,3-THIAZOL-2(3H)-ONE, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Wang, S, Griffiths, G, Midgley, C.A, Barnett, A.L, Cooper, M, Grabarek, J, Ingram, L, Jackson, W, Kontopidis, G, McClue, S.J, McInnes, C, McLachlan, J, Meades, C, Mezna, M, Stuart, I, Thomas, M.P, Zheleva, D.I, Lane, D.P, Jackson, R.C, Glover, D.M, Blake, D.G, Fischer, P.M. | | Deposit date: | 2010-08-01 | | Release date: | 2010-11-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery and Characterisation of 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Transcriptional Cdk Inhibitors as Anticancer Agents
Chem.Biol., 17, 2010
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2XMY
 | | Discovery and Characterisation of 2-Anilino-4-(thiazol-5-yl) pyrimidine Transcriptional CDK Inhibitors as Anticancer Agents | | Descriptor: | 4-[4-(3,4-DIMETHYL-2-OXO-2,3-DIHYDRO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-N-(2-METHOXY-ETHYL)-BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Wang, S, Griffiths, G, Midgley, C.A, Barnett, A.L, Cooper, M, Grabarek, J, Ingram, L, Jackson, W, Kontopidis, G, McClue, S.J, McInnes, C, McLachlan, J, Meades, C, Mezna, M, Stuart, I, Thomas, M.P, Zheleva, D.I, Lane, D.P, Jackson, R.C, Glover, D.M, Blake, D.G, Fischer, P.M. | | Deposit date: | 2010-07-29 | | Release date: | 2010-11-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery and Characterisation of 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Transcriptional Cdk Inhibitors as Anticancer Agents
Chem.Biol., 17, 2010
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3N2B
 | | 1.8 Angstrom Resolution Crystal Structure of Diaminopimelate Decarboxylase (lysA) from Vibrio cholerae. | | Descriptor: | CHLORIDE ION, Diaminopimelate decarboxylase | | Authors: | Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-05-17 | | Release date: | 2010-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 1.8 Angstrom Resolution Crystal Structure of Diaminopimelate Decarboxylase (lysA) from Vibrio cholerae.
To be Published
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3N3W
 | | 2.2 Angstrom Resolution Crystal Structure of Nuclease Domain of Ribonuclase III (rnc) from Campylobacter jejuni | | Descriptor: | Ribonuclease III | | Authors: | Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-05-20 | | Release date: | 2010-06-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.205 Å) | | Cite: | 2.2 Angstrom Resolution Crystal Structure of Nuclease Domain of Ribonuclase III (rnc) from Campylobacter jejuni
TO BE PUBLISHED
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3N2L
 | | 2.1 Angstrom resolution crystal structure of an Orotate Phosphoribosyltransferase (pyrE) from Vibrio cholerae O1 biovar eltor str. N16961 | | Descriptor: | CHLORIDE ION, Orotate phosphoribosyltransferase | | Authors: | Halavaty, A.S, Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-05-18 | | Release date: | 2010-06-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 2.1 Angstrom resolution crystal structure of an Orotate Phosphoribosyltransferase
(pyrE) from Vibrio cholerae O1 biovar eltor str. N16961
To be Published
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3N2I
 | | 2.25 Angstrom resolution crystal structure of a thymidylate kinase (tmk) from Vibrio cholerae O1 biovar eltor str. N16961 in complex with thymidine | | Descriptor: | CHLORIDE ION, THYMIDINE, Thymidylate kinase | | Authors: | Halavaty, A.S, Minasov, G, Shuvalova, L, Winsor, J, Dubrovska, I, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-05-18 | | Release date: | 2010-06-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | 2.25 Angstrom resolution crystal structure of a thymidylate kinase (tmk) from Vibrio cholerae O1 biovar eltor str. N16961 in complex with thymidine
To be Published
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5ML5
 | | Human p38alpha MAPK in complex with imidazolyl pyridine inhibitor 11b | | Descriptor: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1~{H}-imidazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Buehrmann, M, Rauh, D. | | Deposit date: | 2016-12-06 | | Release date: | 2017-04-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Optimized 4,5-Diarylimidazoles as Potent/Selective Inhibitors of Protein Kinase CK1 delta and Their Structural Relation to p38 alpha MAPK.
Molecules, 22, 2017
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3NZT
 | | 2.0 Angstrom Crystal structure of Glutamate--Cysteine Ligase (gshA) ftom Francisella tularensis in Complex with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, Glutamate--cysteine ligase, SULFATE ION | | Authors: | Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-07-16 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 2.0 Angstrom Crystal structure of Glutamate--Cysteine Ligase (gshA) ftom Francisella tularensis in Complex with AMP.
To be Published
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3O2R
 | | Structural flexibility in region involved in dimer formation of nuclease domain of Ribonuclase III (rnc) from Campylobacter jejuni | | Descriptor: | CHLORIDE ION, Ribonuclease III | | Authors: | Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-07-22 | | Release date: | 2010-08-04 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.251 Å) | | Cite: | Structural Flexibility in Region Involved in Dimer Formation of Nuclease Domain of Ribonuclase III (rnc) from Campylobacter jejuni.
TO BE PUBLISHED
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3NNT
 | | Crystal Structure of K170M Mutant of Type I 3-Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium LT2 in Non-Covalent Complex with Dehydroquinate. | | Descriptor: | 1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACID, 3-dehydroquinate dehydratase | | Authors: | Minasov, G, Light, S.H, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-06-24 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Insights into the mechanism of type I dehydroquinate dehydratases from structures of reaction intermediates.
J.Biol.Chem., 286, 2011
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5MTX
 | | Dibenzooxepinone inhibitor 12b in complex with p38 MAPK | | Descriptor: | 3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{N}-(2-morpholin-4-ylethyl)-11-oxidanylidene-6~{H}-benzo[c][1]benzoxepine-9-carboxamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Buehrmann, M, Rauh, D. | | Deposit date: | 2017-01-11 | | Release date: | 2017-09-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Novel Type I(1)/2 p38 alpha MAP Kinase Inhibitors with Excellent Selectivity, High Potency, and Prolonged Target Residence Time by Interfering with the R-Spine.
J. Med. Chem., 60, 2017
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4Y7R
 | | Crystal structure of WDR5 in complex with MYC MbIIIb peptide | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MYC MbIIIb peptide, ... | | Authors: | Sun, Q, Phan, J, Olejniczak, E.T, Thomas, L.R, Fesik, S.W, Tansey, W.P. | | Deposit date: | 2015-02-16 | | Release date: | 2015-04-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Interaction with WDR5 Promotes Target Gene Recognition and Tumorigenesis by MYC.
Mol.Cell, 58, 2015
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3NVS
 | | 1.02 Angstrom resolution crystal structure of 3-phosphoshikimate 1-carboxyvinyltransferase from Vibrio cholerae in complex with shikimate-3-phosphate (partially photolyzed) and glyphosate | | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 3-phosphoshikimate 1-carboxyvinyltransferase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Minasov, G, Light, S.H, Halavaty, A, Shuvalova, G, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-07-08 | | Release date: | 2010-07-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.021 Å) | | Cite: | 1.02 Angstrom Resolution Crystal Structure of 3-Phosphoshikimate 1-Carboxyvinyltransferase from Vibrio cholerae in complex with Shikimate-3-Phosphate (Partially Photolyzed) and Glyphosate
TO BE PUBLISHED
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5MTY
 | | Dibenzosuberone inhibitor 8e in complex with p38 MAPK | | Descriptor: | Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside, ~{N}-[2,4-bis(fluoranyl)-5-[[14-(2-hydroxyethylcarbamoyl)-2-oxidanylidene-6-tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]amino]phenyl]thiophene-2-carboxamide | | Authors: | Buehrmann, M, Rauh, D. | | Deposit date: | 2017-01-11 | | Release date: | 2017-09-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Novel Type I(1)/2 p38 alpha MAP Kinase Inhibitors with Excellent Selectivity, High Potency, and Prolonged Target Residence Time by Interfering with the R-Spine.
J. Med. Chem., 60, 2017
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7NQC
 | | Calmodulin extracts the Ras family protein RalA from lipid bilayers by engagement with two membrane targeting motifs | | Descriptor: | CALCIUM ION, Calmodulin-1, PRO-ASN-GLY-LYS-LYS-LYS-ARG-LYS-SER-LEU-ALA-LYS-ARG-ILE-ARG-GLU-ARG-CMF, ... | | Authors: | Chamberlain, S.G, Owen, D, Mott, H.R. | | Deposit date: | 2021-03-01 | | Release date: | 2021-09-22 | | Method: | SOLUTION NMR | | Cite: | Calmodulin extracts the Ras family protein RalA from lipid bilayers by engagement with two membrane-targeting motifs.
Proc.Natl.Acad.Sci.USA, 118, 2021
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