3NNY
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![BU of 3nny by Molmil](/molmil-images/mine/3nny) | Structure of rat neuronal nitric oxide synthase heme domain complexed with 6-(((3R,4R)-4-(2-(3-Fluorophenethylamino)ethoxy)pyrrolidin-3-yl)methyl)pyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2010-06-24 | Release date: | 2010-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Peripheral but crucial: a hydrophobic pocket (Tyr(706), Leu(337), and Met(336)) for potent and selective inhibition of neuronal nitric oxide synthase. Bioorg.Med.Chem.Lett., 20, 2010
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3OE0
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![BU of 3oe0 by Molmil](/molmil-images/mine/3oe0) | Crystal structure of the CXCR4 chemokine receptor in complex with a cyclic peptide antagonist CVX15 | Descriptor: | C-X-C chemokine receptor type 4, Lysozyme Chimera, Polyphemusin analog, ... | Authors: | Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | Deposit date: | 2010-08-12 | Release date: | 2010-10-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists. Science, 330, 2010
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3B3N
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![BU of 3b3n by Molmil](/molmil-images/mine/3b3n) | Structure of neuronal NOS heme domain in complex with a inhibitor (+-)-N1-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-yl}ethane-1,2-diamine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine, ... | Authors: | Igarashi, J, Li, H, Poulos, T.L. | Deposit date: | 2007-10-22 | Release date: | 2008-07-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Minimal pharmacophoric elements and fragment hopping, an approach directed at molecular diversity and isozyme selectivity. Design of selective neuronal nitric oxide synthase inhibitors. J.Am.Chem.Soc., 130, 2008
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3NOD
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![BU of 3nod by Molmil](/molmil-images/mine/3nod) | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH TETRAHYDROBIOPTERIN AND PRODUCT ANALOGUE L-THIOCITRULLINE | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, L-THIOCITRULLINE, NITRIC OXIDE SYNTHASE, ... | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | Deposit date: | 1998-03-06 | Release date: | 1999-03-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of nitric oxide synthase oxygenase dimer with pterin and substrate. Science, 279, 1998
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3B61
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![BU of 3b61 by Molmil](/molmil-images/mine/3b61) | |
3B63
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![BU of 3b63 by Molmil](/molmil-images/mine/3b63) | Actin filament model in the extended form of acromsomal bundle in the Limulus sperm | Descriptor: | Actin | Authors: | Cong, Y, Topf, M, Sali, A, Matsudaira, P, Dougherty, M, Chiu, W, Schmid, M.F. | Deposit date: | 2007-10-26 | Release date: | 2008-11-18 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (9.5 Å) | Cite: | Crystallographic conformers of actin in a biologically active bundle of filaments. J.Mol.Biol., 375, 2008
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3NWL
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3BJF
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![BU of 3bjf by Molmil](/molmil-images/mine/3bjf) | Pyruvate kinase M2 is a phosphotyrosine binding protein | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, OXALATE ION, ... | Authors: | Wu, N. | Deposit date: | 2007-12-03 | Release date: | 2008-03-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Pyruvate kinase M2 is a phosphotyrosine-binding protein. Nature, 452, 2008
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3B7U
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![BU of 3b7u by Molmil](/molmil-images/mine/3b7u) | Leukotriene A4 Hydrolase Complexed with KELatorphan | Descriptor: | ACETIC ACID, IMIDAZOLE, Leukotriene A-4 hydrolase, ... | Authors: | Tholander, F, Haeggstrom, J, Thunnissen, M, Muroya, A, Roques, B.-P, Fournie-Zaluski, M.-C. | Deposit date: | 2007-10-31 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based dissection of the active site chemistry of leukotriene a4 hydrolase: implications for m1 aminopeptidases and inhibitor design. Chem.Biol., 15, 2008
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3BBX
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3BCD
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![BU of 3bcd by Molmil](/molmil-images/mine/3bcd) | Alpha-amylase B in complex with maltotetraose and alpha-cyclodextrin | Descriptor: | Alpha amylase, catalytic region, CALCIUM ION, ... | Authors: | Tan, T.-C, Mijts, B.N, Swaminathan, K, Patel, B.K.C, Divne, C. | Deposit date: | 2007-11-12 | Release date: | 2008-04-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of the Polyextremophilic alpha-Amylase AmyB from Halothermothrix orenii: Details of a Productive Enzyme-Substrate Complex and an N Domain with a Role in Binding Raw Starch J.Mol.Biol., 378, 2008
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3BGD
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![BU of 3bgd by Molmil](/molmil-images/mine/3bgd) | Thiopurine S-Methyltransferase | Descriptor: | 9H-purine-6-thiol, S-ADENOSYL-L-HOMOCYSTEINE, Thiopurine S-methyltransferase | Authors: | Peng, Y, Yee, V.C. | Deposit date: | 2007-11-26 | Release date: | 2008-06-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis of Substrate Recognition in Thiopurine S-Methyltransferase Biochemistry, 47 (23), 6216 6225, 2008. 10.1021/bi800102x, 2008
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3ODQ
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![BU of 3odq by Molmil](/molmil-images/mine/3odq) | Structure of a Crystal Form of Human Methemoglobin Indicative of Fiber Formation | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Larson, S.B, Day, J.S, Nguyen, C, Cudney, R, Mcpherson, A, Center for High-Throughput Structural Biology (CHTSB) | Deposit date: | 2010-08-11 | Release date: | 2010-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of a crystal form of human methemoglobin indicative of fiber formation. Acta Crystallogr.,Sect.D, 66, 2010
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3OE9
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![BU of 3oe9 by Molmil](/molmil-images/mine/3oe9) | Crystal structure of the chemokine CXCR4 receptor in complex with a small molecule antagonist IT1t in P1 spacegroup | Descriptor: | (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, Lysozyme Chimera | Authors: | Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | Deposit date: | 2010-08-12 | Release date: | 2010-10-27 | Last modified: | 2021-10-06 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists. Science, 330, 2010
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3OH9
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![BU of 3oh9 by Molmil](/molmil-images/mine/3oh9) | AlkA Undamaged DNA Complex: Interrogation of a T:A base pair | Descriptor: | 5'-D(*AP*CP*AP*(BRU)P*GP*AP*AP*(BRU)P*GP*CP*C)-3', 5'-D(*GP*GP*CP*AP*TP*TP*CP*AP*TP*GP*T)-3', DNA-3-methyladenine glycosylase 2 | Authors: | Bowman, B.R, Lee, S, Wang, S, Verdine, G.L. | Deposit date: | 2010-08-17 | Release date: | 2010-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.802 Å) | Cite: | Structure of Escherichia coli AlkA in Complex with Undamaged DNA. J.Biol.Chem., 285, 2010
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3B5D
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3B5U
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![BU of 3b5u by Molmil](/molmil-images/mine/3b5u) | Actin filament model from extended form of acromsomal bundle in the Limulus sperm | Descriptor: | Actin, alpha skeletal muscle | Authors: | Cong, Y, Topf, M, Sali, A, Matsudaira, P, Dougherty, M, Chiu, W, Schmid, M.F. | Deposit date: | 2007-10-26 | Release date: | 2008-04-15 | Last modified: | 2024-02-21 | Method: | ELECTRON CRYSTALLOGRAPHY (9.5 Å) | Cite: | Crystallographic conformers of actin in a biologically active bundle of filaments J.Mol.Biol., 375, 2008
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3B7R
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![BU of 3b7r by Molmil](/molmil-images/mine/3b7r) | Leukotriene A4 Hydrolase Complexed with Inhibitor RB3040 | Descriptor: | IMIDAZOLE, Leukotriene A-4 hydrolase, N-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]-2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE, ... | Authors: | Tholander, F, Haeggstrom, J, Thunnissen, M, Muroya, A, Roques, B.-P, Fournie-Zaluski, M.-C. | Deposit date: | 2007-10-31 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.811 Å) | Cite: | Structure-based dissection of the active site chemistry of leukotriene a4 hydrolase: implications for m1 aminopeptidases and inhibitor design. Chem.Biol., 15, 2008
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3B8X
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![BU of 3b8x by Molmil](/molmil-images/mine/3b8x) | Crystal structure of GDP-4-keto-6-deoxymannose-3-dehydratase (ColD) H188N mutant with bound GDP-perosamine | Descriptor: | 1,2-ETHANEDIOL, Pyridoxamine 5-phosphate-dependent dehydrase, SODIUM ION, ... | Authors: | Cook, P.D, Holden, H.M. | Deposit date: | 2007-11-02 | Release date: | 2007-11-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | GDP-4-Keto-6-deoxy-D-mannose 3-Dehydratase, Accommodating a Sugar Substrate in the Active Site. J.Biol.Chem., 283, 2008
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3B96
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![BU of 3b96 by Molmil](/molmil-images/mine/3b96) | Structural Basis for Substrate Fatty-Acyl Chain Specificity: Crystal Structure of Human Very-Long-Chain Acyl-CoA Dehydrogenase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, TETRADECANOYL-COA, Very long-chain specific acyl-CoA dehydrogenase | Authors: | McAndrew, R.P, Wang, Y, Mohsen, A.W, He, M, Vockley, J, Kim, J.J. | Deposit date: | 2007-11-02 | Release date: | 2008-02-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structural basis for substrate fatty acyl chain specificity: crystal structure of human very-long-chain acyl-CoA dehydrogenase. J.Biol.Chem., 283, 2008
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3OA5
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![BU of 3oa5 by Molmil](/molmil-images/mine/3oa5) | The structure of chi1, a chitinase from Yersinia entomophaga | Descriptor: | Chi1, GLYCEROL, NONAETHYLENE GLYCOL | Authors: | Busby, J.N, Lott, J.S, Hurst, M.R.H. | Deposit date: | 2010-08-04 | Release date: | 2011-08-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural analysis of Chi1 Chitinase from Yen-Tc: the multisubunit insecticidal ABC toxin complex of Yersinia entomophaga J.Mol.Biol., 415, 2012
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3ODU
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![BU of 3odu by Molmil](/molmil-images/mine/3odu) | The 2.5 A structure of the CXCR4 chemokine receptor in complex with small molecule antagonist IT1t | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, ... | Authors: | Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | Deposit date: | 2010-08-11 | Release date: | 2010-10-27 | Last modified: | 2021-10-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists. Science, 330, 2010
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3OGD
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![BU of 3ogd by Molmil](/molmil-images/mine/3ogd) | AlkA Undamaged DNA Complex: Interrogation of a G*:C base pair | Descriptor: | 5'-D(*CP*AP*(BRU)P*GP*AP*CP*(BRU)P*GP*C)-3', 5'-D(*GP*CP*AP*GP*TP*CP*AP*TP*G)-3', DNA-3-methyladenine glycosylase 2 | Authors: | Bowman, B.R, Lee, S, Wang, S, Verdine, G.L. | Deposit date: | 2010-08-16 | Release date: | 2010-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of Escherichia coli AlkA in Complex with Undamaged DNA. J.Biol.Chem., 285, 2010
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3OBZ
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![BU of 3obz by Molmil](/molmil-images/mine/3obz) | |
3OGC
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![BU of 3ogc by Molmil](/molmil-images/mine/3ogc) | KcsA E71A variant in presence of Na+ | Descriptor: | SODIUM ION, Voltage-gated potassium channel, antibody Fab fragment heavy chain, ... | Authors: | McCoy, J.G, Nimigean, C.M. | Deposit date: | 2010-08-16 | Release date: | 2011-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Mechanism for selectivity-inactivation coupling in KcsA potassium channels. Proc.Natl.Acad.Sci.USA, 108, 2011
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