2Q4G
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![BU of 2q4g by Molmil](/molmil-images/mine/2q4g) | Ensemble refinement of the protein crystal structure of human ribonuclease inhibitor complexed with ribonuclease I | Descriptor: | CITRIC ACID, Ribonuclease inhibitor, Ribonuclease pancreatic | Authors: | Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2007-05-31 | Release date: | 2007-06-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.954 Å) | Cite: | Inhibition of human pancreatic ribonuclease by the human ribonuclease inhibitor protein. J.Mol.Biol., 368, 2007
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1GJ7
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![BU of 1gj7 by Molmil](/molmil-images/mine/1gj7) | ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS | Descriptor: | 6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE, CITRIC ACID, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | Authors: | Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. | Deposit date: | 2001-04-27 | Release date: | 2002-04-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Chem.Biol., 8, 2001
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1GK9
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![BU of 1gk9 by Molmil](/molmil-images/mine/1gk9) | Crystal structures of penicillin acylase enzyme-substrate complexes: Structural insights into the catalytic mechanism | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, PENICILLIN G ACYLASE ALPHA SUBUNIT, ... | Authors: | McVey, C.E, Walsh, M.A, Dodson, G.G, Wilson, K.S, Brannigan, J.A. | Deposit date: | 2001-08-10 | Release date: | 2002-01-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal Structures of Penicillin Acylase Enzyme-Substrate Complexes: Structural Insights Into the Catalytic Mechanism J.Mol.Biol., 313, 2001
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2Q2Q
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![BU of 2q2q by Molmil](/molmil-images/mine/2q2q) | Structure of D-3-Hydroxybutyrate Dehydrogenase from Pseudomonas putida | Descriptor: | Beta-D-hydroxybutyrate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Paithankar, K.S, Feller, C, Kuettner, E.B, Keim, A, Grunow, M, Strater, N. | Deposit date: | 2007-05-29 | Release date: | 2007-10-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Cosubstrate-induced dynamics of D-3-hydroxybutyrate dehydrogenase from Pseudomonas putida. Febs J., 274, 2007
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6E4L
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![BU of 6e4l by Molmil](/molmil-images/mine/6e4l) | The structure of the N-terminal domain of human clathrin heavy chain 1 (nTD) in complex with ES9 | Descriptor: | 1,2-ETHANEDIOL, 5-bromo-N-(4-nitrophenyl)thiophene-2-sulfonamide, ACETATE ION, ... | Authors: | Dejonghe, W, Sharma, I, Denoo, B, Munck, S.D, Bulut, H, Mylle, E, Vasileva, M, Lu, Q, Savatin, D.V, Mishev, K, Nerinckx, W, Staes, A, Drozdzecki, A, Audenaert, D, Madder, A, Friml, J, Damme, D.V, Gevaert, K, Haucke, V, Savvides, S, Winne, J, Russinova, E. | Deposit date: | 2018-07-17 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Disruption of endocytosis through chemical inhibition of clathrin heavy chain function. Nat.Chem.Biol., 15, 2019
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3FYN
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![BU of 3fyn by Molmil](/molmil-images/mine/3fyn) | Crystal structure from the mobile metagenome of Cole Harbour Salt Marsh: Integron Cassette Protein HFX_CASS3 | Descriptor: | ACETATE ION, Integron gene cassette protein HFX_CASS3, MAGNESIUM ION | Authors: | Sureshan, V, Deshpande, C.N, Harrop, S.J, Kudritska, M, Koenig, J.E, Evdokimova, E, Osipiuk, J, Edwards, A.M, Savchenko, A, Joachimiak, A, Doolittle, W.F, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-01-22 | Release date: | 2009-02-10 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.449 Å) | Cite: | Structure from the mobile metagenome of Cole Harbour Salt Marsh: Integron Cassette Protein HFX_CASS3 To be Published
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2Q4Y
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![BU of 2q4y by Molmil](/molmil-images/mine/2q4y) | Ensemble refinement of the protein crystal structure of At1g77540-coenzyme A complex | Descriptor: | COENZYME A, Uncharacterized protein At1g77540 | Authors: | Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2007-05-31 | Release date: | 2007-06-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Ensemble refinement of protein crystal structures: validation and application. Structure, 15, 2007
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6E27
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![BU of 6e27 by Molmil](/molmil-images/mine/6e27) | The CARD9 CARD domain-swapped dimer with a zinc ion bound to one of the two zinc binding sites | Descriptor: | Caspase recruitment domain-containing protein 9, ZINC ION | Authors: | Holliday, M.J, Ferrao, R, Boenig, G, Deuber, E.C, Fairbrother, W.J. | Deposit date: | 2018-07-10 | Release date: | 2018-09-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.811 Å) | Cite: | Picomolar zinc binding modulates formation of Bcl10-nucleating assemblies of the caspase recruitment domain (CARD) of CARD9. J. Biol. Chem., 293, 2018
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1FTL
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![BU of 1ftl by Molmil](/molmil-images/mine/1ftl) | |
1UW6
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![BU of 1uw6 by Molmil](/molmil-images/mine/1uw6) | X-ray structure of acetylcholine binding protein (AChBP) in complex with nicotine | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, ACETYLCHOLINE-BINDING PROTEIN | Authors: | Celie, P.H.N, Van Rossum-fikkert, S.E, Van Dijk, W.J, Brejc, K, Smit, A.B, Sixma, T.K. | Deposit date: | 2004-01-30 | Release date: | 2004-03-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Nicotine and Carbamylcholine Binding to Nicotinic Acetylcholine Receptors as Studied in Achbp Crystal Structures Neuron, 41, 2004
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6EGS
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![BU of 6egs by Molmil](/molmil-images/mine/6egs) | Crystal structure of the GalNAc-T2 F104S mutant in complex with UDP-GalNAc | Descriptor: | MANGANESE (II) ION, Polypeptide N-acetylgalactosaminyltransferase 2, URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE | Authors: | de las Rivas, M, Coelho, H, Diniz, A, Lira-Navarrete, E, Jimenez-Barbero, J, Schjoldager, K.T, Bennett, E.P, Vakhrushev, S.Y, Clausen, H, Corzana, F, Marcelo, F, Hurtado-Guerrero, R. | Deposit date: | 2017-09-12 | Release date: | 2018-04-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Analysis of a GalNAc-T2 Mutant Reveals an Induced-Fit Catalytic Mechanism for GalNAc-Ts. Chemistry, 24, 2018
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3T1Y
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![BU of 3t1y by Molmil](/molmil-images/mine/3t1y) | Structure of the Thermus thermophilus 30S ribosomal subunit complexed with a human anti-codon stem loop (HASL) of transfer RNA Lysine 3 (TRNALYS3) bound to an mRNA with an AAG-codon in the A-site and paromomycin | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Murphy, F.V, Vendeix, F.A.P, Cantara, W, Leszczynska, G, Gustilo, E.M, Sproat, B, Malkiewicz, A.A.P, Agris, P.F. | Deposit date: | 2011-07-22 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Human tRNA(Lys3)(UUU) Is Pre-Structured by Natural Modifications for Cognate and Wobble Codon Binding through Keto-Enol Tautomerism. J.Mol.Biol., 416, 2012
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5W3Z
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![BU of 5w3z by Molmil](/molmil-images/mine/5w3z) | Crystal structure of SsoPox AsC6 mutant (L72I-Y99F-I122L-L228M-F229S-W263L) | Descriptor: | 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ... | Authors: | Hiblot, J, Gotthard, G, Jacquet, P, Daude, D, Bergonzi, C, Chabriere, E, Elias, M. | Deposit date: | 2017-06-08 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Rational engineering of a native hyperthermostable lactonase into a broad spectrum phosphotriesterase. Sci Rep, 7, 2017
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4N4A
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![BU of 4n4a by Molmil](/molmil-images/mine/4n4a) | Cystal structure of Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1 | Descriptor: | Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1 | Authors: | Smietanski, M, Werener, M, Purta, E, Kaminska, K.H, Stepinski, J, Darzynkiewicz, E, Nowotny, M, Bujnicki, J.M. | Deposit date: | 2013-10-08 | Release date: | 2014-01-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural analysis of human 2'-O-ribose methyltransferases involved in mRNA cap structure formation. Nat Commun, 5, 2014
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4N4U
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![BU of 4n4u by Molmil](/molmil-images/mine/4n4u) | Crystal structure of ABC transporter solute binding protein BB0719 from Bordetella bronchiseptica RB50, TARGET EFI-510049 | Descriptor: | GLYCEROL, Putative ABC transporter periplasmic solute-binding protein | Authors: | Patskovsky, Y, Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-10-08 | Release date: | 2013-10-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
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6LHU
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![BU of 6lhu by Molmil](/molmil-images/mine/6lhu) | High resolution structure of FANCA C-terminal domain (CTD) | Descriptor: | Fanconi anemia complementation group A | Authors: | Jeong, E, Lee, S, Shin, J, Kim, Y, Kim, J, Scharer, O, Kim, Y, Kim, H, Cho, Y. | Deposit date: | 2019-12-10 | Release date: | 2020-03-25 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Structural basis of the fanconi anemia-associated mutations within the FANCA and FANCG complex. Nucleic Acids Res., 48, 2020
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5VQI
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5VJT
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![BU of 5vjt by Molmil](/molmil-images/mine/5vjt) | De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Zn(II) cations | Descriptor: | CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, Reaction Center Maquette, ... | Authors: | Ennist, N.M, Stayrook, S.E, Dutton, P.L, Moser, C.C. | Deposit date: | 2017-04-19 | Release date: | 2018-04-25 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | De novo protein design of photochemical reaction centers. Nat Commun, 13, 2022
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7RAG
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![BU of 7rag by Molmil](/molmil-images/mine/7rag) | |
3SQC
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![BU of 3sqc by Molmil](/molmil-images/mine/3sqc) | SQUALENE-HOPENE CYCLASE | Descriptor: | SQUALENE--HOPENE CYCLASE | Authors: | Wendt, K.U, Schulz, G.E. | Deposit date: | 1998-09-04 | Release date: | 1999-05-18 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The structure of the membrane protein squalene-hopene cyclase at 2.0 A resolution. J.Mol.Biol., 286, 1999
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6DC2
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![BU of 6dc2 by Molmil](/molmil-images/mine/6dc2) | |
2EAW
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![BU of 2eaw by Molmil](/molmil-images/mine/2eaw) | |
5VOC
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3SU9
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![BU of 3su9 by Molmil](/molmil-images/mine/3su9) | E. Cloacae MURA in complex with UDP-N-acetylmuramic acid and covalent adduct of PEP with Cys115 | Descriptor: | (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Zhu, J.-Y, Yang, Y, Schonbrunn, E. | Deposit date: | 2011-07-11 | Release date: | 2012-03-07 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA). J.Biol.Chem., 287, 2012
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2EF6
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![BU of 2ef6 by Molmil](/molmil-images/mine/2ef6) | Canavalia gladiata lectin complexed with Man1-3Man-OMe | Descriptor: | CALCIUM ION, Concanavalin A, MANGANESE (II) ION, ... | Authors: | Moreno, F.B.M.B, Bezerra, G.A, Oliveira, T.M, de Souza, E.P, da Rocha, B.A.M, Benevides, R.G, Delatorre, P, Cavada, B.S, de Azevedo Jr, W.F. | Deposit date: | 2007-02-21 | Release date: | 2007-10-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural analysis of Canavalia maritima and Canavalia gladiata lectins complexed with different dimannosides: New insights into the understanding of the structure-biological activity relationship in legume lectins J.Struct.Biol., 160, 2007
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