4ZF6
 
 | | Cytochrome P450 pentamutant from BM3 with bound PEG | | Descriptor: | 1,2-ETHANEDIOL, Bifunctional P-450/NADPH-P450 reductase, NICKEL (II) ION, ... | | Authors: | Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T. | | Deposit date: | 2015-04-21 | | Release date: | 2016-07-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.773 Å) | | Cite: | Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants.
Biochemistry, 55, 2016
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6A67
 | | Crystal structure of influenza A virus H5 hemagglutinin globular head in complex with the Fab of antibody FLD21.140 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FLD21.140 Heavy Chain, FLD21.140 Light Chain, ... | | Authors: | Wang, P, Zuo, Y, Sun, J, Zhang, L, Wang, X. | | Deposit date: | 2018-06-26 | | Release date: | 2018-08-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Complementary recognition of the receptor-binding site of highly pathogenic H5N1 influenza viruses by two human neutralizing antibodies.
J. Biol. Chem., 293, 2018
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2ICW
 | | Crystal structure of a complete ternary complex between TCR, superantigen, and peptide-MHC class II molecule | | Descriptor: | HLA class II histocompatibility antigen, DR alpha chain, DRB1-1 beta chain, ... | | Authors: | Wang, L, Zhao, Y, Li, H. | | Deposit date: | 2006-09-13 | | Release date: | 2007-03-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Crystal structure of a complete ternary complex of TCR, superantigen and peptide-MHC.
Nat.Struct.Mol.Biol., 14, 2007
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7R4K
 | | Crystal structure of human mitochondrial NAD kinase | | Descriptor: | MAGNESIUM ION, NAD kinase 2, mitochondrial, ... | | Authors: | Labesse, G, Mary, C, Gelin, M, Lionne, C. | | Deposit date: | 2022-02-08 | | Release date: | 2022-07-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.33 Å) | | Cite: | Crystal structure of human NADK2 reveals a dimeric organization and active site occlusion by lysine acetylation.
Mol.Cell, 82, 2022
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7R4J
 | | Crystal structure of human mitochondrial NAD kinase | | Descriptor: | CALCIUM ION, NAD kinase 2, mitochondrial | | Authors: | Labesse, G, Mary, C, Gelin, M, Lionne, C. | | Deposit date: | 2022-02-08 | | Release date: | 2022-07-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Crystal structure of human NADK2 reveals a dimeric organization and active site occlusion by lysine acetylation.
Mol.Cell, 82, 2022
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7R4M
 | | Crystal structure of mitochondrial NAD kinase | | Descriptor: | CALCIUM ION, NAD kinase 2, mitochondrial, ... | | Authors: | Labesse, G, Mary, C, Gelin, M, Lionne, C. | | Deposit date: | 2022-02-08 | | Release date: | 2022-07-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Crystal structure of human NADK2 reveals a dimeric organization and active site occlusion by lysine acetylation.
Mol.Cell, 82, 2022
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4ZF8
 | | Cytochrome P450 pentamutant from BM3 with bound Metyrapone | | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, METYRAPONE, NICKEL (II) ION, ... | | Authors: | Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T. | | Deposit date: | 2015-04-21 | | Release date: | 2016-07-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.766 Å) | | Cite: | Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants.
Biochemistry, 55, 2016
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4JD9
 | | Contact pathway inhibitor from a sand fly | | Descriptor: | 14.5 kDa salivary protein, SULFATE ION | | Authors: | Andersen, J.F, Xu, X, Alvarenga, P. | | Deposit date: | 2013-02-24 | | Release date: | 2013-10-16 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Novel family of insect salivary inhibitors blocks contact pathway activation by binding to polyphosphate, heparin, and dextran sulfate.
Arterioscler Thromb Vasc Biol, 33, 2013
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5WII
 | | TraE protein in complex with 2-Chloroisonicotinic Acid | | Descriptor: | 2-chloropyridine-4-carboxylic acid, Conjugal transfer protein | | Authors: | Casu, B, Arya, T, Bessette, B, Baron, C. | | Deposit date: | 2017-07-19 | | Release date: | 2017-11-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Fragment-based screening identifies novel targets for inhibitors of conjugative transfer of antimicrobial resistance by plasmid pKM101.
Sci Rep, 7, 2017
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1T2N
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5WIO
 | | TraE protein in complex with 4-(1H-pyrrol-1-yl)pyridine-2-carboxylic acid | | Descriptor: | 4-(1H-pyrrol-1-yl)pyridine-2-carboxylic acid, Conjugal transfer protein | | Authors: | Casu, B, Arya, T, Bessette, B, Baron, C. | | Deposit date: | 2017-07-19 | | Release date: | 2017-11-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Fragment-based screening identifies novel targets for inhibitors of conjugative transfer of antimicrobial resistance by plasmid pKM101.
Sci Rep, 7, 2017
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5WIC
 | | TraE protein in complex with 2-Furoic Acid (FOA) | | Descriptor: | 2-FUROIC ACID, Conjugal transfer protein | | Authors: | Casu, B, Arya, T, Bessette, B, Baron, C. | | Deposit date: | 2017-07-19 | | Release date: | 2017-11-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Fragment-based screening identifies novel targets for inhibitors of conjugative transfer of antimicrobial resistance by plasmid pKM101.
Sci Rep, 7, 2017
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5WIP
 | | TraE protein in complex with 2-(2-furyl)isonicotinic acid | | Descriptor: | 2-(furan-2-yl)pyridine-4-carboxylic acid, Conjugal transfer protein | | Authors: | Casu, B, Arya, T, Bessette, B, Baron, C. | | Deposit date: | 2017-07-19 | | Release date: | 2017-11-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Fragment-based screening identifies novel targets for inhibitors of conjugative transfer of antimicrobial resistance by plasmid pKM101.
Sci Rep, 7, 2017
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3IS9
 | | Crystal structure of the HIV-1 reverse transcriptase (RT) in complex with the alkenyldiarylmethane (ADAM) Non-nucleoside RT Inhibitor dimethyl 3,3'-(6-methoxy-6-oxohex-1-ene-1,1-diyl)bis(5-cyano-6-methoxybenzoate). | | Descriptor: | Reverse transcriptase, Reverse transcriptase/ribonuclease H, dimethyl 3,3'-(6-methoxy-6-oxohex-1-ene-1,1-diyl)bis(5-cyano-6-methoxybenzoate) | | Authors: | Ho, W.C, Bauman, J.D, Das, K, Arnold, E. | | Deposit date: | 2009-08-25 | | Release date: | 2010-04-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystallographic study of a novel subnanomolar inhibitor provides insight on the binding interactions of alkenyldiarylmethanes with human immunodeficiency virus-1 reverse transcriptase.
J.Med.Chem., 52, 2009
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100D
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5G40
 | | Crystal structure of adenylate kinase ancestor 4 with Zn and AMP-ADP bound | | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENYLATE KINSE, ... | | Authors: | Nguyen, V, Kutter, S, English, J, Kern, D. | | Deposit date: | 2016-05-03 | | Release date: | 2016-12-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Evolutionary drivers of thermoadaptation in enzyme catalysis.
Science, 355, 2017
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1SRM
 | | 1H AND 15N ASSIGNMENTS AND SECONDARY STRUCTURE OF THE SRC SH3 DOMAIN | | Descriptor: | SRC TYROSINE KINASE SH3 DOMAIN | | Authors: | Yu, H, Rosen, M.K, Shin, T.B, Seidel-Dugan, C, Brugge, J.S, Schreiber, S.L. | | Deposit date: | 1994-03-07 | | Release date: | 1994-05-31 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | 1H and 15N assignments and secondary structure of the Src SH3 domain.
FEBS Lett., 324, 1993
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4F3Q
 | | Structure of a YebC family protein (CBU_1566) from Coxiella burnetii | | Descriptor: | SULFATE ION, Transcriptional regulatory protein CBU_1566 | | Authors: | Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | Deposit date: | 2012-05-09 | | Release date: | 2012-06-27 | | Last modified: | 2016-02-10 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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1SRL
 | | 1H AND 15N ASSIGNMENTS AND SECONDARY STRUCTURE OF THE SRC SH3 DOMAIN | | Descriptor: | SRC TYROSINE KINASE SH3 DOMAIN | | Authors: | Yu, H, Rosen, M.K, Shin, T.B, Seidel-Dugan, C, Brugge, J.S, Schreiber, S.L. | | Deposit date: | 1994-03-07 | | Release date: | 1994-05-31 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | 1H and 15N assignments and secondary structure of the Src SH3 domain.
FEBS Lett., 324, 1993
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3LEA
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4F3R
 | | Structure of phosphopantetheine adenylyltransferase (CBU_0288) from Coxiella burnetii | | Descriptor: | CALCIUM ION, Phosphopantetheine adenylyltransferase | | Authors: | Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | Deposit date: | 2012-05-09 | | Release date: | 2012-07-04 | | Last modified: | 2016-02-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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6D9X
 | | Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | | Descriptor: | 2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, SODIUM ION, WD repeat-containing protein 5 | | Authors: | Phan, J, Fesik, S.W. | | Deposit date: | 2018-04-30 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
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1AK7
 | | DESTRIN, NMR, 20 STRUCTURES | | Descriptor: | DESTRIN | | Authors: | Hatanaka, H, Moriyama, K, Ogura, K, Ichikawa, S, Yahara, I, Inagaki, F. | | Deposit date: | 1997-05-29 | | Release date: | 1997-10-15 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Tertiary structure of destrin and structural similarity between two actin-regulating protein families.
Cell(Cambridge,Mass.), 85, 1996
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5G3Z
 | | Crystal structure of adenylate kinase ancestor 3 with Zn, Mg and Ap5A bound | | Descriptor: | ADENYLATE KINSE, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Nguyen, V, Kutter, S, English, J, Kern, D. | | Deposit date: | 2016-05-03 | | Release date: | 2016-12-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Evolutionary drivers of thermoadaptation in enzyme catalysis.
Science, 355, 2017
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6DAR
 | | Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | | Descriptor: | DIMETHYL SULFOXIDE, N-(cyclopropylmethyl)-N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide, SULFATE ION, ... | | Authors: | Phan, J, Fesik, S.W. | | Deposit date: | 2018-05-01 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
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