4EK1
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![BU of 4ek1 by Molmil](/molmil-images/mine/4ek1) | Crystal Structure of Electron-Spin Labeled Cytochrome P450cam | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | Authors: | Lee, Y.-T, Goodin, D.B. | Deposit date: | 2012-04-08 | Release date: | 2012-07-25 | Last modified: | 2012-08-29 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Double electron-electron resonance shows cytochrome P450cam undergoes a conformational change in solution upon binding substrate. Proc.Natl.Acad.Sci.USA, 109, 2012
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7RRC
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![BU of 7rrc by Molmil](/molmil-images/mine/7rrc) | IDO1 IN COMPLEX WITH COMPOUND 14 | Descriptor: | Indoleamine 2,3-dioxygenase 1, N-(4-fluorophenyl)-3-{4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl}oxetane-3-carboxamide | Authors: | Lesburg, C.A. | Deposit date: | 2021-08-09 | Release date: | 2022-03-16 | Last modified: | 2022-05-11 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Oxetane Promise Delivered: Discovery of Long-Acting IDO1 Inhibitors Suitable for Q3W Oral or Parenteral Dosing. J.Med.Chem., 65, 2022
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5VUS
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![BU of 5vus by Molmil](/molmil-images/mine/5vus) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)-2-chlorobenzonitrile | Descriptor: | 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-chlorobenzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2017-05-19 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J. Med. Chem., 60, 2017
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1W7H
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![BU of 1w7h by Molmil](/molmil-images/mine/1w7h) | p38 Kinase crystal structure in complex with small molecule inhibitor | Descriptor: | 3-(BENZYLOXY)PYRIDIN-2-AMINE, MITOGEN-ACTIVATED PROTEIN KINASE 14 | Authors: | Jhoti, H, Gill, A, Cleasby, A, Devine, L. | Deposit date: | 2004-09-02 | Release date: | 2005-02-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.214 Å) | Cite: | Fragment-Based Lead Discovery Using X-Ray Crystallography J.Med.Chem., 48, 2005
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1W83
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![BU of 1w83 by Molmil](/molmil-images/mine/1w83) | p38 Kinase crystal structure in complex with small molecule inhibitor | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-PHENYL]-3-FLUORO- | Authors: | Tickle, J, Jhoti, H, Cleasby, A, Devine, L. | Deposit date: | 2004-09-16 | Release date: | 2005-02-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation. J. Med. Chem., 48, 2005
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7R51
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![BU of 7r51 by Molmil](/molmil-images/mine/7r51) | Structure of P. gingivalis DPP11 in complex with the dipeptide Arg-Asp | Descriptor: | ARG-ASP, Asp/Glu-specific dipeptidyl-peptidase | Authors: | Tham, C.T, Coker, J.A, Foster, W.R, Ohara-Nemoto, Y, Nemoto, T.K, Yue, W.W, Bountra, C, Bezerra, G.A. | Deposit date: | 2022-02-09 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.808 Å) | Cite: | Structure of P. gingivalis DPP11 in complex with the dipeptide Arg-Asp To Be Published
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4FHQ
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![BU of 4fhq by Molmil](/molmil-images/mine/4fhq) | Crystal Structure of HVEM | Descriptor: | Tumor necrosis factor receptor superfamily member 14 | Authors: | Liu, W, Zhan, C, Patskovsky, Y, Bhosle, R.C, Nathenson, S.G, Almo, S.C, Atoms-to-Animals: The Immune Function Network (IFN), New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-06-06 | Release date: | 2012-07-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.251 Å) | Cite: | Increased Heterologous Protein Expression in Drosophila S2 Cells for Massive Production of Immune Ligands/Receptors and Structural Analysis of Human HVEM. Mol Biotechnol, 57, 2015
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1W0K
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![BU of 1w0k by Molmil](/molmil-images/mine/1w0k) | ADP inhibited bovine F1-ATPase | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP SYNTHASE ALPHA CHAIN HEART ISOFORM, MITOCHONDRIAL PRECURSOR, ... | Authors: | Kagawa, R, Montgomery, M.G, Braig, K, Walker, J.E, Leslie, A.G.W. | Deposit date: | 2004-06-08 | Release date: | 2004-07-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | The Structure of Bovine F1-ATPase Inhibited by Adp and Beryllium Fluoride Embo J., 23, 2004
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4KYB
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![BU of 4kyb by Molmil](/molmil-images/mine/4kyb) | Crystal Structure of de novo designed serine hydrolase OSH55.14_E3, Northeast Structural Genomics Consortium Target OR342 | Descriptor: | Designed Protein OR342, PHOSPHATE ION | Authors: | Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Mao, L, Xiao, R, Lee, D, Raja, S, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-05-28 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.909 Å) | Cite: | Northeast Structural Genomics Consortium Target OR342 To be Published
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4L0F
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![BU of 4l0f by Molmil](/molmil-images/mine/4l0f) | |
7RTZ
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![BU of 7rtz by Molmil](/molmil-images/mine/7rtz) | |
5VUK
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![BU of 5vuk by Molmil](/molmil-images/mine/5vuk) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((4-(Dimethylamino)benzyl)amino)methyl)quinolin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[({[4-(dimethylamino)phenyl]methyl}amino)methyl]quinolin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2017-05-19 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J. Med. Chem., 60, 2017
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4JZR
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![BU of 4jzr by Molmil](/molmil-images/mine/4jzr) | Structure of Prolyl Hydroxylase Domain-containing Protein (PHD) with Inhibitors | Descriptor: | 1,2-ETHANEDIOL, 2-(biphenyl-4-yl)-8-[(1-methyl-1H-imidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one, Egl nine homolog 1, ... | Authors: | Ma, Y, Yang, L. | Deposit date: | 2013-04-03 | Release date: | 2013-10-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Novel complex crystal structure of prolyl hydroxylase domain-containing protein 2 (PHD2): 2,8-Diazaspiro[4.5]decan-1-ones as potent, orally bioavailable PHD2 inhibitors Bioorg.Med.Chem., 21, 2013
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5VUR
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![BU of 5vur by Molmil](/molmil-images/mine/5vur) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)-2-methylbenzonitrile | Descriptor: | 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2017-05-19 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J. Med. Chem., 60, 2017
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5WBG
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![BU of 5wbg by Molmil](/molmil-images/mine/5wbg) | Crystal Structure of human Cytochrome P450 2B6 (Y226H/K262R) in complex with an analog of a drug Efavirenz | Descriptor: | (2R,4S)-6-chloro-4-(cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, 5-cyclohexylpentan-1-ol, ... | Authors: | Shah, M.B, Halpert, J.R. | Deposit date: | 2017-06-29 | Release date: | 2018-05-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Crystal Structure of CYP2B6 in Complex with an Efavirenz Analog. Int J Mol Sci, 19, 2018
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1YIP
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![BU of 1yip by Molmil](/molmil-images/mine/1yip) | Oxidized Peptidylglycine Alpha-Hydroxylating Monooxygenase (PHM) in a New Crystal Form | Descriptor: | COPPER (II) ION, Peptidyl-glycine alpha-amidating monooxygenase | Authors: | Siebert, X, Eipper, B.A, Mains, R.E, Prigge, S.T, Blackburn, N.J, Amzel, L.M. | Deposit date: | 2005-01-12 | Release date: | 2005-11-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Catalytic Copper of Peptidylglycine alpha-Hydroxylating Monooxygenase also Plays a Critical Structural Role. Biophys.J., 89, 2005
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5V8K
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![BU of 5v8k by Molmil](/molmil-images/mine/5v8k) | Homodimeric reaction center of H. modesticaldum | Descriptor: | 1-[GLYCEROLYLPHOSPHONYL]-2-[8-(2-HEXYL-CYCLOPROPYL)-OCTANAL-1-YL]-3-[HEXADECANAL-1-YL]-GLYCEROL, 4,4'-Diaponeurosporene, 8(1)-OH-Chlorophyll aF, ... | Authors: | Gisriel, C, Sarrou, I, Ferlez, B, Golbeck, J, Redding, K.E, Fromme, R. | Deposit date: | 2017-03-22 | Release date: | 2017-09-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of a symmetric photosynthetic reaction center-photosystem. Science, 357, 2017
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4J6U
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4J8T
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![BU of 4j8t by Molmil](/molmil-images/mine/4j8t) | Engineered Digoxigenin binder DIG10.2 | Descriptor: | DIGOXIGENIN, Engineered Digoxigenin binder protein DIG10.2 | Authors: | Stoddard, B.L, Doyle, L.A. | Deposit date: | 2013-02-14 | Release date: | 2013-06-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Computational design of ligand-binding proteins with high affinity and selectivity. Nature, 501, 2013
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5V2T
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![BU of 5v2t by Molmil](/molmil-images/mine/5v2t) | Ethylene forming enzyme in complex with manganese and tartrate | Descriptor: | 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, L(+)-TARTARIC ACID, MANGANESE (II) ION | Authors: | Fellner, M, Martinez, S, Hu, J, Hausinger, R.P. | Deposit date: | 2017-03-06 | Release date: | 2017-08-16 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (1.227 Å) | Cite: | Structures and Mechanisms of the Non-Heme Fe(II)- and 2-Oxoglutarate-Dependent Ethylene-Forming Enzyme: Substrate Binding Creates a Twist. J. Am. Chem. Soc., 139, 2017
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1YJL
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![BU of 1yjl by Molmil](/molmil-images/mine/1yjl) | Reduced Peptidylglycine alpha-Hydroxylating Monooxygenase in a new crystal form | Descriptor: | Peptidyl-glycine alpha-amidating monooxygenase | Authors: | Siebert, X, Eipper, B.A, Mains, R.E, Prigge, S.T, Blackburn, N.J, Amzel, L.M. | Deposit date: | 2005-01-14 | Release date: | 2005-11-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The catalytic copper of Peptidylglycine alpha-Hydroxylating Monooxygenase also plays a critical structural role. Biophys.J., 89, 2005
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5WJ8
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![BU of 5wj8 by Molmil](/molmil-images/mine/5wj8) | Crystal Structure of Human Cadherin-23 EC13-14 | Descriptor: | CALCIUM ION, CHLORIDE ION, Cadherin-23, ... | Authors: | Velez-Cortes, F, Conghui, C, De-la-Torre, P, Sotomayor, M. | Deposit date: | 2017-07-21 | Release date: | 2018-07-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Zooming in on Cadherin-23: Structural Diversity and Potential Mechanisms of Inherited Deafness. Structure, 26, 2018
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7RWL
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![BU of 7rwl by Molmil](/molmil-images/mine/7rwl) | Envelope-associated Adeno-associated virus serotype 2 | Descriptor: | Capsid protein VP1 | Authors: | Hull, J.A, Mietzsch, M, Chipman, P, Strugatsky, D, McKenna, R. | Deposit date: | 2021-08-20 | Release date: | 2021-10-20 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Structural characterization of an envelope-associated adeno-associated virus type 2 capsid. Virology, 565, 2021
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7RWT
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![BU of 7rwt by Molmil](/molmil-images/mine/7rwt) | Adeno-associated virus type 2 | Descriptor: | Capsid protein VP1 | Authors: | Hull, J.A, Mietzsch, M, Chipman, P, Strugatsky, D, McKenna, R. | Deposit date: | 2021-08-20 | Release date: | 2021-10-20 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.43 Å) | Cite: | Structural characterization of an envelope-associated adeno-associated virus type 2 capsid. Virology, 565, 2021
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4GTO
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![BU of 4gto by Molmil](/molmil-images/mine/4gto) | FTase in complex with BMS analogue 14 | Descriptor: | 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl trifluoromethanesulfonate, DIMETHYL SULFOXIDE, FARNESYL DIPHOSPHATE, ... | Authors: | Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S. | Deposit date: | 2012-08-29 | Release date: | 2012-10-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Development of Selective, Potent RabGGTase Inhibitors J.Med.Chem., 55, 2012
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