8Q73
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2ZUQ
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![BU of 2zuq by Molmil](/molmil-images/mine/2zuq) | Crystal structure of DsbB-Fab complex | Descriptor: | Disulfide bond formation protein B, Fab fragment heavy chain, Fab fragment light chain, ... | Authors: | Inaba, K, Suzuki, M, Murakami, S. | Deposit date: | 2008-10-28 | Release date: | 2009-04-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Dynamic nature of disulphide bond formation catalysts revealed by crystal structures of DsbB Embo J., 28, 2009
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6HY9
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![BU of 6hy9 by Molmil](/molmil-images/mine/6hy9) | THE GLIC PENTAMERIC LIGAND-GATED ION CHANNEL MUTANT Q193M | Descriptor: | CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, Proton-gated ion channel | Authors: | Hu, H.D, Delarue, M. | Deposit date: | 2018-10-19 | Release date: | 2018-12-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Electrostatics, proton sensor, and networks governing the gating transition in GLIC, a proton-gated pentameric ion channel. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2QWD
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3NK2
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![BU of 3nk2 by Molmil](/molmil-images/mine/3nk2) | Complex of 6-hydroxy-L-nicotine oxidase with dopamine | Descriptor: | (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate, 6-hydroxy-L-nicotine oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Kachalova, G.S, Bartunik, H.D. | Deposit date: | 2010-06-18 | Release date: | 2011-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal structure analysis of free and substrate-bound 6-hydroxy-L-nicotine oxidase from Arthrobacter nicotinovorans. J.Mol.Biol., 396, 2010
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1XHA
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![BU of 1xha by Molmil](/molmil-images/mine/1xha) | Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | Descriptor: | N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-09-17 | Release date: | 2005-09-17 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants J.Med.Chem., 48, 2005
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2Z5M
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![BU of 2z5m by Molmil](/molmil-images/mine/2z5m) | Complex of Transportin 1 with TAP NLS, crystal form 2 | Descriptor: | Nuclear RNA export factor 1, Transportin-1 | Authors: | Imasaki, T, Shimizu, T, Hashimoto, H, Hidaka, Y, Kose, S, Imamoto, N, Yamada, M, Sato, M. | Deposit date: | 2007-07-14 | Release date: | 2007-10-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for substrate recognition and dissociation by human transportin 1 Mol.Cell, 28, 2007
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6I08
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![BU of 6i08 by Molmil](/molmil-images/mine/6i08) | THE GLIC PENTAMERIC LIGAND-GATED ION CHANNEL MUTANT E243C-I201W | Descriptor: | CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Hu, H.D, Delarue, M. | Deposit date: | 2018-10-25 | Release date: | 2018-12-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Electrostatics, proton sensor, and networks governing the gating transition in GLIC, a proton-gated pentameric ion channel. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1X81
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![BU of 1x81 by Molmil](/molmil-images/mine/1x81) | Farnesyl transferase structure of Jansen compound | Descriptor: | 6-[(S)-AMINO(4-CHLOROPHENYL)(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-2(1H)-ONE, Protein farnesyltransferase beta subunit, Protein farnesyltransferase/geranylgeranyltransferase type I alpha subunit, ... | Authors: | Li, Q, Claiborne, A, Li, T, Hasvold, L, Stoll, V.S, Muchmore, S, Jakob, C.G, Gu, W, Cohen, J, Hutchins, C, Frost, D, Rosenberg, S.H, Sham, H.L. | Deposit date: | 2004-08-16 | Release date: | 2004-12-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Design, synthesis, and activity of 4-quinolone and pyridone compounds as nonthiol-containing farnesyltransferase inhibitors. Bioorg.Med.Chem.Lett., 14, 2004
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2ZJR
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![BU of 2zjr by Molmil](/molmil-images/mine/2zjr) | Refined native structure of the large ribosomal subunit (50S) from Deinococcus radiodurans | Descriptor: | 50S ribosomal protein L11, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Harms, J.M, Wilson, D.N, Schluenzen, F, Connell, S.R, Stachelhaus, T, Zaborowska, Z, Spahn, C.M.T, Fucini, P. | Deposit date: | 2008-03-08 | Release date: | 2008-06-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Translational regulation via L11: molecular switches on the ribosome turned on and off by thiostrepton and micrococcin. Mol.Cell, 30, 2008
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3NLG
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![BU of 3nlg by Molmil](/molmil-images/mine/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
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![BU of 3nlv by Molmil](/molmil-images/mine/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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3N25
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![BU of 3n25 by Molmil](/molmil-images/mine/3n25) | The structure of muscle pyruvate kinase in complex with proline, pyruvate, and Mn2+ | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Fenton, A.W, Johnson, T.A, Holyoak, T. | Deposit date: | 2010-05-17 | Release date: | 2010-07-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | The pyruvate kinase model system, a cautionary tale for the use of osmolyte perturbations to support conformational equilibria in allostery. Protein Sci., 19, 2010
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3N1X
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![BU of 3n1x by Molmil](/molmil-images/mine/3n1x) | X-ray Crystal Structure of Toluene/o-Xylene Monooxygenase Hydroxylase T201C Mutant | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, HYDROXIDE ION, ... | Authors: | Sazinsky, M.H, McCormick, M.S, Lippard, S.J. | Deposit date: | 2010-05-17 | Release date: | 2010-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Active Site Threonine Facilitates Proton Transfer during Dioxygen Activation at the Diiron Center of Toluene/o-Xylene Monooxygenase Hydroxylase. J.Am.Chem.Soc., 132, 2010
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1XEG
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![BU of 1xeg by Molmil](/molmil-images/mine/1xeg) | Crystal structure of human carbonic anhydrase II complexed with an acetate ion | Descriptor: | ACETATE ION, Carbonic anhydrase II, ZINC ION | Authors: | Mazumdar, P.A, Kumaran, D, Das, A.K, Swaminathan, S. | Deposit date: | 2004-09-10 | Release date: | 2005-09-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | A novel acetate-bound complex of human carbonic anhydrase II. Acta Crystallogr.,Sect.F, 64, 2008
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3N5X
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![BU of 3n5x by Molmil](/molmil-images/mine/3n5x) | Structure of neuronal nitric oxide synthase heme domain in complex with 4-(2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)ethyl)-6-methylpyridin-2-amine | Descriptor: | 6-(2-{5-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-3-yl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, CHLORIDE ION, ... | Authors: | Li, H, Delker, S.L, Poulos, T.L. | Deposit date: | 2010-05-25 | Release date: | 2011-02-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase . Biochemistry, 49, 2010
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3N6B
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![BU of 3n6b by Molmil](/molmil-images/mine/3n6b) | Structure of endothelial nitric oxide synthase H373S single mutant heme domain complexed with 6,6'-(2,2'-(pyridine-3,5-diyl)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine), CACODYLIC ACID, ... | Authors: | Delker, S.L, Li, H, Poulos, T.L. | Deposit date: | 2010-05-25 | Release date: | 2011-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase . Biochemistry, 49, 2010
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1XG2
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![BU of 1xg2 by Molmil](/molmil-images/mine/1xg2) | Crystal structure of the complex between pectin methylesterase and its inhibitor protein | Descriptor: | Pectinesterase 1, Pectinesterase inhibitor | Authors: | Di Matteo, A, Raiola, A, Camardella, L, Giovane, A, Bonivento, D, De Lorenzo, G, Cervone, F, Bellincampi, D, Tsernoglou, D. | Deposit date: | 2004-09-16 | Release date: | 2005-03-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis for the Interaction between Pectin Methylesterase and a Specific Inhibitor Protein Plant Cell, 17, 2005
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2ZDX
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![BU of 2zdx by Molmil](/molmil-images/mine/2zdx) | Inhibitor-bound structures of human pyruvate dehydrogenase kinase 4 | Descriptor: | 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol, Pyruvate dehydrogenase kinase isozyme 4 | Authors: | Kawamoto, M, Shiromizu, I, Kukimoto-niino, M, Tokmakov, A, Terada, T, Shirouzu, M, Matsusue, T, Yokoyama, S. | Deposit date: | 2007-11-30 | Release date: | 2008-12-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Inhibitor-bound structures of human pyruvate dehydrogenase kinase 4. Acta Crystallogr.,Sect.D, 67, 2011
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3N9J
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6I4K
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![BU of 6i4k by Molmil](/molmil-images/mine/6i4k) | Crystal Structure of Plasmodium falciparum actin I (G115A mutant) in the Ca-ATP state | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, Actin-1, ... | Authors: | Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I. | Deposit date: | 2018-11-09 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation. Plos Biol., 17, 2019
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3NCB
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![BU of 3ncb by Molmil](/molmil-images/mine/3ncb) | A mutant human Prolactin receptor antagonist H180A in complex with the extracellular domain of the human prolactin receptor | Descriptor: | CARBONATE ION, CHLORIDE ION, Prolactin, ... | Authors: | Kulkarni, M.V, Tettamanzi, M.C, Murphy, J.W, Keeler, C, Myszka, D.G, Chayen, N.E, Lolis, E.J, Hodsdon, M.E. | Deposit date: | 2010-06-04 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Two Independent Histidines, One in Human Prolactin and One in Its Receptor, Are Critical for pH-dependent Receptor Recognition and Activation. J.Biol.Chem., 285, 2010
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3N5T
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![BU of 3n5t by Molmil](/molmil-images/mine/3n5t) | Structure of endothelial nitric oxide synthase heme domain complexed with 6,6'-(2,2'-(pyridine-3,5-diyl)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine), ACETATE ION, ... | Authors: | Delker, S.L, Li, H, Poulos, T.L. | Deposit date: | 2010-05-25 | Release date: | 2011-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase . Biochemistry, 49, 2010
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1X7A
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![BU of 1x7a by Molmil](/molmil-images/mine/1x7a) | Porcine Factor IXa Complexed to 1-{3-[amino(imino)methyl]phenyl}-N-[4-(1H-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide | Descriptor: | 1-{3-[AMINO(IMINO)METHYL]PHENYL}-N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE, Coagulation Factor IX, light chain, ... | Authors: | Alexander, R.S, Smallwood, A.M, Smallheer, J.M, Wang, J, Wang, S, Nakajima, S, Rossi, K.A, Barbera, F, Burdick, D, Luettgen, J.M. | Deposit date: | 2004-08-13 | Release date: | 2005-08-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | SAR and factor IXa crystal structure of a dual inhibitor of factors IXa and Xa Bioorg.Med.Chem.Lett., 14, 2004
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3N68
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![BU of 3n68 by Molmil](/molmil-images/mine/3n68) | Structure of endothelial nitric oxide synthase heme domain N368D/V106M double mutant complexed with 4-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenethyl)-6-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[2-(2-amino-6-methylpyridin-4-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Delker, S.L, Li, H, Poulos, T.L. | Deposit date: | 2010-05-25 | Release date: | 2011-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase . Biochemistry, 49, 2010
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