3HSP
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![BU of 3hsp by Molmil](/molmil-images/mine/3hsp) | Ternary structure of neuronal nitric oxide synthase with NHA and NO bound(2) | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ... | Authors: | Doukov, T, Li, H, Soltis, M, Poulos, T.L. | Deposit date: | 2009-06-10 | Release date: | 2009-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Single crystal structural and absorption spectral characterizations of nitric oxide synthase complexed with N(omega)-hydroxy-L-arginine and diatomic ligands. Biochemistry, 48, 2009
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4D0T
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![BU of 4d0t by Molmil](/molmil-images/mine/4d0t) | GalNAc-T2 crystal soaked with UDP-GalNAc, EA2 peptide and manganese | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, MANGANESE (II) ION, ... | Authors: | Lira-Navarrete, E, Iglesias-Fernandez, J, Zandberg, W.F, Companon, I, Kong, Y, Corzana, F, Pinto, B.M, Clausen, H, Peregrina, J.M, Vocadlo, D, Rovira, C, Hurtado-Guerrero, R. | Deposit date: | 2014-04-30 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N-Acetylgalactosaminyltransferase 2. Angew.Chem.Int.Ed.Engl., 53, 2014
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8EPC
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3O1T
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![BU of 3o1t by Molmil](/molmil-images/mine/3o1t) | Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*TP*AP*AP*(MDU)P*AP*CP*CP*GP*T)-3'), ... | Authors: | Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C. | Deposit date: | 2010-07-22 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase. Nature, 468, 2010
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8EPK
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3I2K
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![BU of 3i2k by Molmil](/molmil-images/mine/3i2k) | Cocaine Esterase, wild type, bound to a DTT adduct | Descriptor: | (4S,5S)-4,5-BIS(MERCAPTOMETHYL)-1,3-DIOXOLAN-2-OL, CHLORIDE ION, Cocaine esterase, ... | Authors: | Tesmer, J.J.G, Nance, M.R. | Deposit date: | 2009-06-29 | Release date: | 2010-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Structural analysis of thermostabilizing mutations of cocaine esterase. Protein Eng.Des.Sel., 23, 2010
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8EPH
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![BU of 8eph by Molmil](/molmil-images/mine/8eph) | Crystal structure of human coagulation factor IXa (S195A), apo-form, DES-GLA | Descriptor: | CALCIUM ION, Coagulation factor IXa heavy chain, Coagulation factor IXa light chain, ... | Authors: | Kolyadko, V.N, Krishnaswamy, S. | Deposit date: | 2022-10-05 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | An RNA aptamer exploits exosite-dependent allostery to achieve specific inhibition of coagulation factor IXa. Proc.Natl.Acad.Sci.USA, 121, 2024
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6ME6
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![BU of 6me6 by Molmil](/molmil-images/mine/6me6) | XFEL crystal structure of human melatonin receptor MT2 in complex with 2-phenylmelatonin | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, ... | Authors: | Johansson, L.C, Stauch, B, McCorvy, J, Han, G.W, Patel, N, Batyuk, A, Gati, C, Li, C, Grandner, J, Hao, S, Olsen, R.H.J, Tribo, A.R, Zaare, S, Zhu, L, Zatsepin, N.A, Weierstall, U, Liu, W, Roth, B.L, Katritch, V, Cherezov, V. | Deposit date: | 2018-09-05 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity. Nature, 569, 2019
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3S3W
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![BU of 3s3w by Molmil](/molmil-images/mine/3s3w) | Structure of chicken acid-sensing ion channel 1 at 2.6 a resolution and ph 7.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Amiloride-sensitive cation channel 2, ... | Authors: | Dawson, R.J.P, Benz, J, Stohler, P, Tetaz, T, Joseph, C, Huber, S, Schmid, G, Huegin, D, Pflimlin, P, Trube, G, Rudolph, M.G, Hennig, M, Ruf, A. | Deposit date: | 2011-05-18 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of the Acid-sensing ion channel 1 in complex with the gating modifier Psalmotoxin 1. Nat Commun, 3, 2012
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6SAM
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![BU of 6sam by Molmil](/molmil-images/mine/6sam) | Structure of human butyrylcholinesterase in complex with 1-(2,3-dihydro-1H-inden2-yl)piperidin-3-yl N-phenyl carbamate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Cholinesterase, ... | Authors: | Brazzolotto, X, Kosak, U, Strasek, N, Knez, D, Gobec, S, Nachon, F. | Deposit date: | 2019-07-17 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | N-alkylpiperidine carbamates as potential anti-Alzheimer's agents. Eur.J.Med.Chem., 197, 2020
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3SBR
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![BU of 3sbr by Molmil](/molmil-images/mine/3sbr) | Pseudomonas stutzeri nitrous oxide reductase, P1 crystal form with substrate | Descriptor: | CALCIUM ION, CHLORIDE ION, DINUCLEAR COPPER ION, ... | Authors: | Pomowski, A, Zumft, W.G, Kroneck, P.M.H, Einsle, O. | Deposit date: | 2011-06-06 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | N2O binding at a [4Cu:2S] copper-sulphur cluster in nitrous oxide reductase. Nature, 477, 2011
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3I4D
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![BU of 3i4d by Molmil](/molmil-images/mine/3i4d) | Photosynthetic reaction center from rhodobacter sphaeroides 2.4.1 | Descriptor: | (2R,3S)-heptane-1,2,3-triol, 1,4-DIETHYLENE DIOXIDE, BACTERIOCHLOROPHYLL A, ... | Authors: | Fujii, R, Adachi, S, Roszak, A.W, Gardiner, A.T, Cogdell, R.J, Isaacs, N.W, Koshihara, S, Hashimoto, H. | Deposit date: | 2009-07-01 | Release date: | 2010-12-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structure of the carotenoid bound to the reaction centre from Rhodobacter sphaeroides 2.4.1 revealed by time-resolved X-ray crystallography To be Published
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5YFE
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6MBC
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![BU of 6mbc by Molmil](/molmil-images/mine/6mbc) | Human Bfl-1 in complex with the designed peptide dF4 | Descriptor: | Bcl-2-related protein A1, dF4 | Authors: | Jenson, J.M, Keating, A.E. | Deposit date: | 2018-08-29 | Release date: | 2019-03-06 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (1.752 Å) | Cite: | Tertiary Structural Motif Sequence Statistics Enable Facile Prediction and Design of Peptides that Bind Anti-apoptotic Bfl-1 and Mcl-1. Structure, 27, 2019
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6MG8
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![BU of 6mg8 by Molmil](/molmil-images/mine/6mg8) | Structural basis for cholesterol transport-like activity of the Hedgehog receptor Patched | Descriptor: | CHOLESTEROL, Protein patched homolog 1 | Authors: | Zhang, Y, Bulkley, D, Xin, Y, Roberts, K.J, Asarnow, D.E, Sharma, A, Myers, B.R, Cho, W, Cheng, Y, Beachy, P.A. | Deposit date: | 2018-09-13 | Release date: | 2018-11-28 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural Basis for Cholesterol Transport-like Activity of the Hedgehog Receptor Patched. Cell, 175, 2018
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3HY8
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![BU of 3hy8 by Molmil](/molmil-images/mine/3hy8) | Crystal Structure of Human Pyridoxine 5'-Phosphate Oxidase R229W Mutant | Descriptor: | FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Safo, M.K, Musayev, F.N, Di Salvo, M.L, Saavedra, M.K, Schirch, V. | Deposit date: | 2009-06-22 | Release date: | 2009-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular basis of reduced pyridoxine 5'-phosphate oxidase catalytic activity in neonatal epileptic encephalopathy disorder J.Biol.Chem., 284, 2009
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6ME8
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![BU of 6me8 by Molmil](/molmil-images/mine/6me8) | XFEL crystal structure of human melatonin receptor MT2 (N86D) in complex with 2-phenylmelatonin | Descriptor: | N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, ZINC ION | Authors: | Johansson, L.C, Stauch, B, McCorvy, J, Han, G.W, Patel, N, Batyuk, A, Gati, C, Li, C, Grandner, J, Hao, S, Olsen, R.H.J, Tribo, A.R, Zaare, S, Zhu, L, Zatsepin, N.A, Weierstall, U, Liu, W, Roth, B.L, Katritch, V, Cherezov, V. | Deposit date: | 2018-09-05 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity. Nature, 569, 2019
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3VWI
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![BU of 3vwi by Molmil](/molmil-images/mine/3vwi) | High resolution crystal structure of FraC in the monomeric form | Descriptor: | AMMONIUM ION, CHLORIDE ION, Fragaceatoxin C, ... | Authors: | Tanaka, K, Morante, K, Caaveiro, J.M.M, Gonzalez-Manas, J.M, Tsumoto, K. | Deposit date: | 2012-08-23 | Release date: | 2013-08-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for self-assembly of a cytolytic pore lined by protein and lipid Nat Commun, 6, 2015
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3NW2
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![BU of 3nw2 by Molmil](/molmil-images/mine/3nw2) | Novel nanomolar Imidazopyridines as selective Nitric Oxide Synthase (iNOS) inhibitors: SAR and structural insights | Descriptor: | 2-[2-(4-methoxypyridin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | Authors: | Graedler, U, Fuchss, T, Ulrich, W.R, Boer, R, Strub, A, Hesslinger, C, Anezo, C, Diederichs, K, Zaliani, A. | Deposit date: | 2010-07-09 | Release date: | 2011-06-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Novel nanomolar imidazo[4,5-b]pyridines as selective nitric oxide synthase (iNOS) inhibitors: SAR and structural insights Bioorg.Med.Chem.Lett., 21, 2011
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8F9Y
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![BU of 8f9y by Molmil](/molmil-images/mine/8f9y) | SAL1 from Arabidopsis thaliana | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, SAL1 phosphatase | Authors: | Frkic, R.L, Kaczmarski, J.A, Tan, L, Jackson, C.J. | Deposit date: | 2022-11-24 | Release date: | 2023-01-18 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Sensing and signaling of oxidative stress in chloroplasts by inactivation of the SAL1 phosphoadenosine phosphatase. Proc.Natl.Acad.Sci.USA, 113, 2016
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6MF8
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![BU of 6mf8 by Molmil](/molmil-images/mine/6mf8) | TCR alpha transmembrane domain | Descriptor: | T-cell receptor alpha chain C region | Authors: | Brazin, K.N, Reinherz, E.L. | Deposit date: | 2018-09-10 | Release date: | 2018-12-12 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The T Cell Antigen Receptor alpha Transmembrane Domain Coordinates Triggering through Regulation of Bilayer Immersion and CD3 Subunit Associations. Immunity, 49, 2018
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5YLV
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![BU of 5ylv by Molmil](/molmil-images/mine/5ylv) | Crystal structure of the gastric proton pump complexed with SCH28080 | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-(2-methyl-8-phenylmethoxy-imidazo[1,2-a]pyridin-3-yl)ethanenitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Abe, K, Irie, K, Nakanishi, H, Fujiyoshi, Y. | Deposit date: | 2017-10-19 | Release date: | 2018-04-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.79977775 Å) | Cite: | Crystal structures of the gastric proton pump Nature, 556, 2018
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3I0S
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![BU of 3i0s by Molmil](/molmil-images/mine/3i0s) | crystal structure of HIV reverse transcriptase in complex with inhibitor 7 | Descriptor: | Reverse transcriptase/ribonuclease H, S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6,8-dichloro-3,4-dihydroquinoline-1(2H)-carbothioate, p51 RT | Authors: | Yan, Y, Prasad, S. | Deposit date: | 2009-06-25 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Substituted tetrahydroquinolines as potent allosteric inhibitors of reverse transcriptase and its key mutants. Bioorg.Med.Chem.Lett., 19, 2009
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6ME5
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![BU of 6me5 by Molmil](/molmil-images/mine/6me5) | XFEL crystal structure of human melatonin receptor MT1 in complex with agomelatine | Descriptor: | OLEIC ACID, chimera protein of Melatonin receptor type 1A and GlgA glycogen synthase, ~{N}-[2-(7-methoxynaphthalen-1-yl)ethyl]ethanamide | Authors: | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V. | Deposit date: | 2018-09-05 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis of ligand recognition at the human MT1melatonin receptor. Nature, 569, 2019
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6S8N
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![BU of 6s8n by Molmil](/molmil-images/mine/6s8n) | Cryo-EM structure of LptB2FGC in complex with lipopolysaccharide | Descriptor: | 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, DODECYL-BETA-D-MALTOSIDE, Inner membrane protein yjgQ, ... | Authors: | Tang, X.D, Chang, S.H, Luo, Q.H, Zhang, Z.Y, Qiao, W, Xu, C.H, Zhang, C.B, Niu, Y, Yang, W.X, Wang, T, Zhang, Z.B, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H. | Deposit date: | 2019-07-10 | Release date: | 2019-09-25 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM structures of lipopolysaccharide transporter LptB2FGC in lipopolysaccharide or AMP-PNP-bound states reveal its transport mechanism. Nat Commun, 10, 2019
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