1BFD
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![BU of 1bfd by Molmil](/molmil-images/mine/1bfd) | BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA | Descriptor: | BENZOYLFORMATE DECARBOXYLASE, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Hasson, M.S, Muscate, A, Mcleish, M.J, Polovnikova, L.S, Gerlt, J.A, Kenyon, G.L, Petsko, G.A, Ringe, D. | Deposit date: | 1998-04-30 | Release date: | 1998-06-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The crystal structure of benzoylformate decarboxylase at 1.6 A resolution: diversity of catalytic residues in thiamin diphosphate-dependent enzymes. Biochemistry, 37, 1998
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4CPK
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![BU of 4cpk by Molmil](/molmil-images/mine/4cpk) | Crystal structure of PBP2a double clinical mutant N146K-E150K from MRSA | Descriptor: | CADMIUM ION, CHLORIDE ION, Penicillin binding protein 2 prime, ... | Authors: | Otero, L.H, Rojas-Altuve, A, Hermoso, J.A. | Deposit date: | 2014-02-07 | Release date: | 2014-09-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Disruption of Allosteric Response as an Unprecedented Mechanism of Resistance to Antibiotics. J.Am.Chem.Soc., 136, 2014
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1OS5
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![BU of 1os5 by Molmil](/molmil-images/mine/1os5) | Crystal structure of HCV NS5B RNA polymerase complexed with a novel non-competitive inhibitor. | Descriptor: | 3-(4-AMINO-2-TERT-BUTYL-5-METHYL-PHENYLSULFANYL)-6-CYCLOPENTYL-4-HYDROXY-6-[2-(4-HYDROXY-PHENYL)-ETHYL]-5,6-DIHYDRO-PYRAN-2-ONE, Hepatitis C virus NS5B RNA polymerase | Authors: | Love, R.A, Parge, H.E, Yu, X, Hickey, M.J, Diehl, W, Gao, J, Wriggers, H, Ekker, A, Wang, L, Thomson, J.A, Dragovich, P.S, Fuhrman, S.A. | Deposit date: | 2003-03-18 | Release date: | 2004-03-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystallographic identification of a noncompetitive inhibitor binding site on the hepatitis C virus NS5B RNA polymerase enzyme. J.Virol., 77, 2003
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1WVQ
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![BU of 1wvq by Molmil](/molmil-images/mine/1wvq) | Structure of conserved hypothetical protein PAE2307 from Pyrobaculum aerophilum | Descriptor: | PHOSPHATE ION, hypothetical protein PAE2307 | Authors: | Lott, J.S, Delbaere, L.T, Banfield, M.J, Sigrell-Simon, J.A, Baker, E.N. | Deposit date: | 2004-12-24 | Release date: | 2006-01-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The structure of an ancient conserved domain establishes a structural basis for stable histidine phosphorylation and identifies a new family of adenosine-specific kinases. J.Biol.Chem., 281, 2006
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1OYT
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![BU of 1oyt by Molmil](/molmil-images/mine/1oyt) | COMPLEX OF RECOMBINANT HUMAN THROMBIN WITH A DESIGNED FLUORINATED INHIBITOR | Descriptor: | (3ASR,4RS,8ASR,8BRS)-4-(2-(4-FLUOROBENZYL)-1,3-DIOXODEACAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL)BENZAMIDINE, CALCIUM ION, Hirudin IIB, ... | Authors: | Banner, D.W, Olsen, J.A. | Deposit date: | 2003-04-07 | Release date: | 2003-06-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | A Fluorine Scan of Thrombin Inhibitors to Map the Fluorophilicity/Fluorophobicity of an Enzyme Active Site: Evidence for CF...C=O Interactions. Angew.Chem.Int.Ed.Engl., 42, 2003
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4D2B
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![BU of 4d2b by Molmil](/molmil-images/mine/4d2b) | Structure of a ligand free POT family peptide transporter | Descriptor: | (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, DI-OR TRIPEPTIDE:H+ SYMPORTER, ... | Authors: | Lyons, J.A, Parker, J.L, Solcan, N, Brinth, A, Li, D, Shah, S.T.A, Caffrey, M, Newstead, S. | Deposit date: | 2014-05-09 | Release date: | 2014-06-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural Basis for Polyspecificity in the Pot Family of Proton-Coupled Oligopeptide Transporters. Embo Rep., 15, 2014
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1P6H
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![BU of 1p6h by Molmil](/molmil-images/mine/1p6h) | Rat neuronal NOS heme domain with L-N(omega)-nitroarginine-2,4-L-diaminobutyric amide bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, L-N(OMEGA)-NITROARGININE-2,4-L-DIAMINOBUTYRIC AMIDE, ... | Authors: | Flinspach, M.L, Li, H, Jamal, J, Yang, W, Huang, H, Hah, J.-M, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L. | Deposit date: | 2003-04-29 | Release date: | 2004-01-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural basis for dipeptide amide isoform-selective inhibition of neuronal nitric oxide synthase. Nat.Struct.Mol.Biol., 11, 2004
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1OYH
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![BU of 1oyh by Molmil](/molmil-images/mine/1oyh) | Crystal Structure of P13 Alanine Variant of Antithrombin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antithrombin-III, ... | Authors: | Johnson, D.J.D, Huntington, J.A. | Deposit date: | 2003-04-04 | Release date: | 2004-04-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | The influence of hinge region residue Glu-381 on antithrombin allostery and metastability J.Biol.Chem., 279, 2004
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1P1M
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![BU of 1p1m by Molmil](/molmil-images/mine/1p1m) | Structure of Thermotoga maritima amidohydrolase TM0936 bound to Ni and methionine | Descriptor: | Hypothetical protein TM0936, METHIONINE, NICKEL (II) ION | Authors: | Kniewel, R, Buglino, J.A, Lima, C.D, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2003-04-12 | Release date: | 2003-04-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of the hypothetical protein TM0936 from Thermotoga maritima at
1.5A bound to Ni and methionine To be Published, 2003
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4C61
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![BU of 4c61 by Molmil](/molmil-images/mine/4c61) | Inhibitors of Jak2 Kinase domain | Descriptor: | ACETATE ION, N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-N4-(1-methylimidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine, TYROSINE-PROTEIN KINASE JAK2 | Authors: | Read, J.A, Green, I, Pollard, H, Howard, T. | Deposit date: | 2013-09-17 | Release date: | 2014-01-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Discovery of 1-Methyl-1H-Imidazole Derivatives as Potent Jak2 Inhibitors. J.Med.Chem., 57, 2014
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4C6H
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![BU of 4c6h by Molmil](/molmil-images/mine/4c6h) | Haloalkane dehalogenase with 1-hexanol | Descriptor: | CHLORIDE ION, HALOALKANE DEHALOGENASE, HEXAN-1-OL, ... | Authors: | Novak, H.R, Sayer, C, Isupov, M, Gotz, D, Spragg, A.M, Littlechild, J.A. | Deposit date: | 2013-09-18 | Release date: | 2014-05-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Biochemical and Structural Characterisation of a Haloalkane Dehalogenase from a Marine Rhodobacteraceae. FEBS Lett., 588, 2014
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1AQ1
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![BU of 1aq1 by Molmil](/molmil-images/mine/1aq1) | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR STAUROSPORINE | Descriptor: | CYCLIN-DEPENDENT PROTEIN KINASE 2, STAUROSPORINE | Authors: | Endicott, J.A, Noble, M.E.M, Johnson, L.N, Lawrie, A, Tunnah, P, Brown, N.R. | Deposit date: | 1997-08-05 | Release date: | 1997-11-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Protein kinase inhibition by staurosporine revealed in details of the molecular interaction with CDK2. Nat.Struct.Biol., 4, 1997
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1WO7
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![BU of 1wo7 by Molmil](/molmil-images/mine/1wo7) | Solution structure of Designed Functional Finger 7 (DFF7): Designed mutant based on non-native CHANCE domain | Descriptor: | CREB Binding Protein, ZINC ION | Authors: | Sharpe, B.K, Liew, C.K, Wilce, J.A, Crossley, M, Matthews, J.M, Mackay, J.P. | Deposit date: | 2004-08-12 | Release date: | 2005-03-08 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Assessment of the robustness of a serendipitous zinc binding fold: mutagenesis and protein grafting Structure, 13, 2005
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1BGA
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![BU of 1bga by Molmil](/molmil-images/mine/1bga) | |
4C97
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![BU of 4c97 by Molmil](/molmil-images/mine/4c97) | Cas6 (TTHA0078) H37A mutant | Descriptor: | CAS6A, SULFATE ION | Authors: | Jinek, M, Niewoehner, O, Doudna, J.A. | Deposit date: | 2013-10-02 | Release date: | 2013-11-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Evolution of Crispr RNA Recognition and Processing by Cas6 Endonucleases. Nucleic Acids Res., 42, 2014
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2UGI
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![BU of 2ugi by Molmil](/molmil-images/mine/2ugi) | PROTEIN MIMICRY OF DNA FROM CRYSTAL STRUCTURES OF THE URACIL GLYCOSYLASE INHIBITOR PROTEIN AND ITS COMPLEX WITH ESCHERICHIA COLI URACIL-DNA GLYCOSYLASE | Descriptor: | IMIDAZOLE, URACIL-DNA GLYCOSYLASE INHIBITOR | Authors: | Putnam, C.D, Arvai, A.S, Mol, C.D, Tainer, J.A. | Deposit date: | 1998-11-06 | Release date: | 1999-03-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Protein mimicry of DNA from crystal structures of the uracil-DNA glycosylase inhibitor protein and its complex with Escherichia coli uracil-DNA glycosylase J.Mol.Biol., 287, 1999
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1NP6
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![BU of 1np6 by Molmil](/molmil-images/mine/1np6) | Crystal structure of Escherichia coli MobB | Descriptor: | Molybdopterin-guanine dinucleotide biosynthesis protein B, SULFATE ION | Authors: | McLuskey, K, Harrison, J.A, Schuttelkopf, A.W, Boxer, D.H, Hunter, W.N. | Deposit date: | 2003-01-17 | Release date: | 2003-04-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Insight into the role of Escherichia coli MobB in Molybdenum cofactor biosynthesis based on the high resolution crystal structure J.Biol.Chem., 278, 2003
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1BYR
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![BU of 1byr by Molmil](/molmil-images/mine/1byr) | |
4EBN
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![BU of 4ebn by Molmil](/molmil-images/mine/4ebn) | |
4ECJ
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![BU of 4ecj by Molmil](/molmil-images/mine/4ecj) | Crystal structure of glutathione s-transferase prk13972 (target efi-501853) from pseudomonas aeruginosa pacs2 complexed with glutathione | Descriptor: | GLUTATHIONE, glutathione S-transferase | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Zencheck, W.D, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-03-26 | Release date: | 2012-04-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Crystal Structure of Glutathione S-Transferase Prk13972 from Pseudomonas Aeruginosa To be Published
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1NI3
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1N83
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![BU of 1n83 by Molmil](/molmil-images/mine/1n83) | Crystal Structure of the complex between the Orphan Nuclear Hormone Receptor ROR(alpha)-LBD and Cholesterol | Descriptor: | CHOLESTEROL, Nuclear receptor ROR-alpha | Authors: | Kallen, J.A, Schlaeppi, J.M, Bitsch, F, Geisse, S, Geiser, M, Delhon, I, Fournier, B. | Deposit date: | 2002-11-19 | Release date: | 2002-12-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | X-ray Structure of hROR(alpha) LBD at 1.63A: Structural and Functional data that Cholesterol or a Cholesterol derivative is the natural ligand of ROR(alpha) Structure, 10, 2002
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2UUG
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![BU of 2uug by Molmil](/molmil-images/mine/2uug) | ESCHERICHIA COLI URACIL-DNA GLYCOSYLASE:INHIBITOR COMPLEX WITH H187D MUTANT UDG AND WILD-TYPE UGI | Descriptor: | URACIL-DNA GLYCOSYLASE, URACIL-DNA GLYCOSYLASE INHIBITOR | Authors: | Putnam, C.D, Arvai, A.S, Mol, C.D, Tainer, J.A. | Deposit date: | 1998-10-31 | Release date: | 1999-03-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Protein mimicry of DNA from crystal structures of the uracil-DNA glycosylase inhibitor protein and its complex with Escherichia coli uracil-DNA glycosylase J.Mol.Biol., 287, 1999
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4EEU
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![BU of 4eeu by Molmil](/molmil-images/mine/4eeu) | Crystal structure of phiLOV2.1 | Descriptor: | FLAVIN MONONUCLEOTIDE, Phototropin-2 | Authors: | Hitomi, K, Christie, J.M, Arvai, A.S, Hartfield, K.A, Pratt, A.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2012-03-28 | Release date: | 2012-05-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4068 Å) | Cite: | Structural Tuning of the Fluorescent Protein iLOV for Improved Photostability. J.Biol.Chem., 287, 2012
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1BYS
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![BU of 1bys by Molmil](/molmil-images/mine/1bys) | |