3MYK
 
 | | Insights into the Importance of Hydrogen Bonding in the Gamma-Phosphate Binding Pocket of Myosin: Structural and Functional Studies of Ser236 | | Descriptor: | (-)-1-PHENYL-1,2,3,4-TETRAHYDRO-4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-4-ONE, MAGNESIUM ION, Myosin-2 heavy chain, ... | | Authors: | Frye, J.J, Klenchin, V.A, Bagshaw, C.R, Rayment, I. | | Deposit date: | 2010-05-10 | | Release date: | 2010-05-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Insights into the importance of hydrogen bonding in the gamma-phosphate binding pocket of myosin: structural and functional studies of serine 236
Biochemistry, 49, 2010
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6XL9
 | | Cryo-EM structure of EcmrR-RNAP-promoter initial transcribing complex with 3-nt RNA transcript (EcmrR-RPitc-3nt) | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Yang, Y, Liu, C, Shi, W, Liu, B. | | Deposit date: | 2020-06-28 | | Release date: | 2021-04-07 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Structural visualization of transcription activated by a multidrug-sensing MerR family regulator.
Nat Commun, 12, 2021
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6XLJ
 | | Cryo-EM structure of EcmrR-RNAP-promoter initial transcribing complex with 4-nt RNA transcript (EcmrR-RPitc-4nt) | | Descriptor: | CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Yang, Y, Liu, C, Liu, B. | | Deposit date: | 2020-06-28 | | Release date: | 2021-04-07 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural visualization of transcription activated by a multidrug-sensing MerR family regulator.
Nat Commun, 12, 2021
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6XL5
 | | Cryo-EM structure of EcmrR-RNAP-promoter open complex (EcmrR-RPo) | | Descriptor: | CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Yang, Y, Liu, C, Liu, B. | | Deposit date: | 2020-06-28 | | Release date: | 2021-04-07 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Structural visualization of transcription activated by a multidrug-sensing MerR family regulator.
Nat Commun, 12, 2021
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3M07
 | | 1.4 Angstrom Resolution Crystal Structure of Putative alpha Amylase from Salmonella typhimurium. | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-03-02 | | Release date: | 2010-03-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | 1.4 Angstrom Resolution Crystal Structure of Putative alpha Amylase from Salmonella typhimurium.
TO BE PUBLISHED
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4AT3
 | | CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH CPD5N | | Descriptor: | (5Z)-5-(carbamoylimino)-3-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl]-2,5-dihydroisothiazole-4-carboxamide, BDNF/NT-3 GROWTH FACTORS RECEPTOR | | Authors: | Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M. | | Deposit date: | 2012-05-03 | | Release date: | 2012-08-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition.
J.Mol.Biol., 423, 2012
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4AVX
 | | Hepatocyte Growth Factor-Regulated Tyrosine Kinase Substrate (Hgs-Hrs) bound to an IP2 compound at 1.68 A Resolution | | Descriptor: | 1,2-ETHANEDIOL, HEPATOCYTE GROWTH FACTOR-REGULATED TYROSINE KINASE SUBSTRATE, PHOSPHORIC ACID MONO-(2,3,4,6-TETRAHYDROXY-5-PHOSPHONOOXY-CYCLOHEXYL) ESTER, ... | | Authors: | Williams, E, Canning, P, Shrestha, L, Krojer, T, Vollmar, M, Slowey, A, Conway, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bullock, A. | | Deposit date: | 2012-05-30 | | Release date: | 2012-06-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Crystal Structure of the Tandem Vhs and Fyve Domains of Hepatocyte Growth Factor-Regulated Tyrosine Kinase Substrate (Hgs-Hrs) Bound to an Ip2 Compound at 1.68 A Resolution
To be Published
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3NLG
 | | Structure of endothelial nitric oxide synthase heme domain complexed with 6-{{(3'S,4'R)-3'-[2"-(3'''-fluorophenethylamino)ethoxy]pyrrolidin-4'-yl}methyl}-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... | | Authors: | Ji, H, Delker, S.L, Li, H, Martasek, P, Roman, L, Poulos, T.L, Silverman, R.B. | | Deposit date: | 2010-06-21 | | Release date: | 2010-11-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Exploration of the Active Site of Neuronal Nitric Oxide Synthase by the Design and Synthesis of Pyrrolidinomethyl 2-Aminopyridine Derivatives.
J.Med.Chem., 53, 2010
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3NLV
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3S,4S)-4-(2-(2,2-Difluoro-2-(3-fluorophenyl)ethylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3S,4S)-4-(2-{[2,2-difluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Delker, S.L, Poulos, T.L. | | Deposit date: | 2010-06-21 | | Release date: | 2011-01-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Potent, highly selective, and orally bioavailable gem-difluorinated monocationic inhibitors of neuronal nitric oxide synthase.
J.Am.Chem.Soc., 132, 2010
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8AXJ
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4ASJ
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | Descriptor: | CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide, ... | | Authors: | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Westwood, N.J, Gray, D, Naismith, J.H. | | Deposit date: | 2012-05-01 | | Release date: | 2012-10-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
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3NHI
 | | Crystal structure of the AnSt-D7L1-leukotriene C4 complex | | Descriptor: | (5S,7E,9E,11Z,14Z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid, D7 protein, GLYCEROL, ... | | Authors: | Andersen, J.F, Alvarenga, P.H, Francischetti, I.M, Calvo, E, Sa-Nunes, A, Ribeiro, J.M. | | Deposit date: | 2010-06-14 | | Release date: | 2010-12-29 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | The function and three-dimensional structure of a thromboxane a(2)/cysteinyl leukotriene-binding protein from the saliva of a mosquito vector of the malaria parasite.
Plos Biol., 8, 2010
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4ASK
 | | CRYSTAL STRUCTURE OF JMJD3 WITH GSK-J1 | | Descriptor: | 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, COBALT (II) ION, LYSINE-SPECIFIC DEMETHYLASE 6B, ... | | Authors: | Chung, C, Mosley, J, Liddle, J. | | Deposit date: | 2012-05-01 | | Release date: | 2012-07-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response
Nature, 488, 2012
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3MDO
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3M8R
 | | Crystal structure of the large fragment of DNA polymerase I from Thermus aquaticus in a closed ternary complex with trapped 4'-ethylated dTTP | | Descriptor: | 4'-ethylthymidine 5'-(tetrahydrogen triphosphate), ACETATE ION, DNA (5'-D(*AP*AP*AP*AP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), ... | | Authors: | Diederichs, K, Marx, A, Betz, K. | | Deposit date: | 2010-03-19 | | Release date: | 2010-07-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of DNA polymerases caught processing size-augmented nucleotide probes.
Angew.Chem.Int.Ed.Engl., 49, 2010
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3MMO
 | | Structure of the Thioalkalivibrio nitratireducens cytochrome c nitrite reductase in complex with cyanide | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | Authors: | Trofimov, A.A, Polyakov, K.M, Boyko, K.M, Tikhonova, T.V, Lamzin, V.S, Bourenkov, G.P, Popov, V.O. | | Deposit date: | 2010-04-20 | | Release date: | 2010-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structures of complexes of octahaem cytochrome c nitrite reductase from Thioalkalivibrio nitratireducens with sulfite and cyanide.
Acta Crystallogr.,Sect.D, 66, 2010
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3PNF
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((2,2-Difluoro-2-(2-chlorophenyl)ethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[2-(2-chlorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Delker, S, Poulos, T.L. | | Deposit date: | 2010-11-18 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Improved synthesis of chiral pyrrolidine inhibitors and their binding properties to neuronal nitric oxide synthase.
J.Med.Chem., 54, 2011
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3M8S
 | | Crystal structure of the large fragment of DNA polymerase I from Thermus aquaticus in a closed ternary complex with trapped 4'-methylated dTTP | | Descriptor: | 4'-methylthymidine 5'-(tetrahydrogen triphosphate), ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Diederichs, K, Marx, A, Betz, K. | | Deposit date: | 2010-03-19 | | Release date: | 2010-07-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of DNA polymerases caught processing size-augmented nucleotide probes.
Angew.Chem.Int.Ed.Engl., 49, 2010
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3NLM
 | | Structure of neuronal nitric oxide synthase heme domain in complex with 6-{{(3'R,4'R)-3'-[2"-(3'''-fluorophenethylamino)ethoxy]pyrrolidin-4'-yl}methyl}-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Delker, S.L, Poulos, T.L. | | Deposit date: | 2010-06-21 | | Release date: | 2010-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Exploration of the Active Site of Neuronal Nitric Oxide Synthase by the Design and Synthesis of Pyrrolidinomethyl 2-Aminopyridine Derivatives.
J.Med.Chem., 53, 2010
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6CDC
 | | GID4 in complex with a tetrapeptide | | Descriptor: | Glucose-induced degradation protein 4 homolog, Tetrapeptide PGLW, UNKNOWN ATOM OR ION | | Authors: | Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-08 | | Release date: | 2018-03-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Molecular basis of GID4-mediated recognition of degrons for the Pro/N-end rule pathway.
Nat. Chem. Biol., 14, 2018
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3MSH
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7JI2
 | | Crystal Structure of H2-Kb in complex with a OVA mutant peptide | | Descriptor: | Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ... | | Authors: | Li, X, Mallis, R.J, Mizsei, R, Tan, K, Reinherz, E.L, Wang, J. | | Deposit date: | 2020-07-22 | | Release date: | 2020-12-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Pre-T cell receptors topologically sample self-ligands during thymocyte beta-selection.
Science, 371, 2021
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8OZG
 | | cryoEM structure of SPARTA complex Tetramer Post-NAD cleavage-1 | | Descriptor: | DNA (5'-D(*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), MAGNESIUM ION, Piwi domain-containing protein, ... | | Authors: | Babatunde, E, Dong, C.N, Xu, H.L, Henning, S. | | Deposit date: | 2023-05-09 | | Release date: | 2023-08-16 | | Last modified: | 2023-08-23 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Activation mechanism of a short argonaute-TIR prokaryotic immune system.
Sci Adv, 9, 2023
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6XT8
 | | Crystal structure of haloalkane dehalogenase variant DhaA115 domain-swapped dimer type-2 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Markova, K, Damborsky, J, Marek, M. | | Deposit date: | 2020-01-15 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Computational Enzyme Stabilization Can Affect Folding Energy Landscapes and Lead to Catalytically Enhanced Domain-Swapped Dimers
Acs Catalysis, 11, 2021
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4GWY
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