4ETL
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![BU of 4etl by Molmil](/molmil-images/mine/4etl) | Crystallographic structure of phenylalanine hydroxylase from Chromobacterium violaceum F258A mutation | Descriptor: | COBALT (II) ION, Phenylalanine-4-hydroxylase | Authors: | Ronau, J.A, Paul, L.P, Corn, I.R, Wagner, K.T, Abu-Omar, M.M, Das, C. | Deposit date: | 2012-04-24 | Release date: | 2013-05-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | An additional substrate binding site in a bacterial phenylalanine hydroxylase. Eur.Biophys.J., 42, 2013
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2UU8
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![BU of 2uu8 by Molmil](/molmil-images/mine/2uu8) | X-ray structure of Ni, Ca concanavalin A at Ultra-high resolution (0. 94A) | Descriptor: | CALCIUM ION, CONCANAVALIN, NICKEL (II) ION | Authors: | Ahmed, H.U, Blakeley, M.P, Cianci, M, Cruickshank, D.W.J, Hubbard, J.A, Helliwell, J.R. | Deposit date: | 2007-03-01 | Release date: | 2007-07-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | The Determination of Protonation States in Proteins. Acta Crystallogr.,Sect.D, 63, 2007
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1XCV
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1BR8
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![BU of 1br8 by Molmil](/molmil-images/mine/1br8) | IMPLICATIONS FOR FUNCTION AND THERAPY OF A 2.9A STRUCTURE OF BINARY-COMPLEXED ANTITHROMBIN | Descriptor: | PROTEIN (ANTITHROMBIN-III), PROTEIN (PEPTIDE) | Authors: | Skinner, R, Chang, W.S.W, Jin, L, Pei, X.Y, Huntington, J.A, Abrahams, J.P, Carrell, R.W, Lomas, D.A. | Deposit date: | 1998-08-26 | Release date: | 1998-09-02 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Implications for function and therapy of a 2.9 A structure of binary-complexed antithrombin. J.Mol.Biol., 283, 1998
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4CMP
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![BU of 4cmp by Molmil](/molmil-images/mine/4cmp) | Crystal structure of S. pyogenes Cas9 | Descriptor: | CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1, MAGNESIUM ION, SULFATE ION | Authors: | Jinek, M, Jiang, F, Taylor, D.W, Sternberg, S.H, Kaya, E, Ma, E, Anders, C, Hauer, M, Zhou, K, Lin, S, Kaplan, M, Iavarone, A.T, Charpentier, E, Nogales, E, Doudna, J.A. | Deposit date: | 2014-01-16 | Release date: | 2014-02-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structures of Cas9 Endonucleases Reveal RNA-Mediated Conformational Activation. Science, 343, 2014
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1OIY
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![BU of 1oiy by Molmil](/molmil-images/mine/1oiy) | Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | Descriptor: | 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | Authors: | Pratt, D.J, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2003-06-26 | Release date: | 2004-07-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2 J.Med.Chem., 47, 2004
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1XBY
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![BU of 1xby by Molmil](/molmil-images/mine/1xby) | Structure of 3-keto-L-gulonate 6-phosphate decarboxylase E112D/T169A mutant with bound D-ribulose 5-phosphate | Descriptor: | 3-keto-L-gulonate 6-phosphate decarboxylase, MAGNESIUM ION, RIBULOSE-5-PHOSPHATE | Authors: | Wise, E.L, Yew, W.S, Akana, J, Gerlt, J.A, Rayment, I. | Deposit date: | 2004-08-31 | Release date: | 2005-04-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Evolution of enzymatic activities in the orotidine 5'-monophosphate decarboxylase suprafamily: structural basis for catalytic promiscuity in wild-type and designed mutants of 3-keto-L-gulonate 6-phosphate decarboxylase Biochemistry, 44, 2005
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1OI9
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![BU of 1oi9 by Molmil](/molmil-images/mine/1oi9) | Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | Descriptor: | 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | Authors: | Pratt, D.J, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2003-06-10 | Release date: | 2004-07-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2 J.Med.Chem., 47, 2004
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1XBZ
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![BU of 1xbz by Molmil](/molmil-images/mine/1xbz) | Crystal structure of 3-keto-L-gulonate 6-phosphate decarboxylase E112D/R139V/T169A mutant with bound L-xylulose 5-phosphate | Descriptor: | 3-Keto-L-Gulonate 6-Phosphate Decarboxylase, L-XYLULOSE 5-PHOSPHATE, MAGNESIUM ION | Authors: | Wise, E.L, Yew, W.S, Akana, J, Gerlt, J.A, Rayment, I. | Deposit date: | 2004-08-31 | Release date: | 2005-04-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Evolution of enzymatic activities in the orotidine 5'-monophosphate decarboxylase suprafamily: structural basis for catalytic promiscuity in wild-type and designed mutants of 3-keto-L-gulonate 6-phosphate decarboxylase Biochemistry, 44, 2005
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1XCU
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![BU of 1xcu by Molmil](/molmil-images/mine/1xcu) | oligonucleotid/drug complex | Descriptor: | 1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-9,10-DIONE, 5'-D(*CP*GP*TP*AP*CP*G)-3', BARIUM ION, ... | Authors: | Valls, N, Steiner, R.A, Wright, G, Murshudov, G.N, Subirana, J.A. | Deposit date: | 2004-09-03 | Release date: | 2005-07-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Variable role of ions in two drug intercalation complexes of DNA J.Biol.Inorg.Chem., 10, 2005
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1XDC
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![BU of 1xdc by Molmil](/molmil-images/mine/1xdc) | Hydrogen Bonding in Human Manganese Superoxide Dismutase containing 3-Fluorotyrosine | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial | Authors: | Ayala, I, Perry, J.J, Szczepanski, J, Cabelli, D.E, Tainer, J.A, Vala, M.T, Nick, H.S, Silverman, D.N. | Deposit date: | 2004-09-05 | Release date: | 2005-03-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Hydrogen bonding in human manganese superoxide dismutase containing 3-fluorotyrosine Biophys.J., 89, 2005
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1BN7
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![BU of 1bn7 by Molmil](/molmil-images/mine/1bn7) | HALOALKANE DEHALOGENASE FROM A RHODOCOCCUS SPECIES | Descriptor: | ACETATE ION, HALOALKANE DEHALOGENASE | Authors: | Newman, J, Peat, T.S, Richard, R, Kan, L, Swanson, P.E, Affholter, J.A, Holmes, I.H, Schindler, J.F, Unkefer, C.J, Terwilliger, T.C. | Deposit date: | 1998-07-31 | Release date: | 2000-02-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Haloalkane dehalogenases: structure of a Rhodococcus enzyme. Biochemistry, 38, 1999
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1OIU
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![BU of 1oiu by Molmil](/molmil-images/mine/1oiu) | Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | Descriptor: | 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | Authors: | Pratt, D.J, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2003-06-26 | Release date: | 2004-07-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2 J.Med.Chem., 47, 2004
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4CVO
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![BU of 4cvo by Molmil](/molmil-images/mine/4cvo) | Crystal structure of the N-terminal colied-coil domain of human DNA excision repair protein ERCC-6 | Descriptor: | DNA EXCISION REPAIR PROTEIN ERCC-6, MAGNESIUM ION | Authors: | Newman, J.A, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2014-03-28 | Release date: | 2014-04-09 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structure of the N-Terminal Colied-Coil Domain of Human DNA Excision Repair Protein Ercc-6 To be Published
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4D2C
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![BU of 4d2c by Molmil](/molmil-images/mine/4d2c) | Structure of a di peptide bound POT family peptide transporter | Descriptor: | (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, ALANINE, ... | 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 (2.47 Å) | Cite: | Structural Basis for Polyspecificity in the Pot Family of Proton-Coupled Oligopeptide Transporters. Embo Rep., 15, 2014
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1BN6
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![BU of 1bn6 by Molmil](/molmil-images/mine/1bn6) | HALOALKANE DEHALOGENASE FROM A RHODOCOCCUS SPECIES | Descriptor: | HALOALKANE DEHALOGENASE | Authors: | Newman, J, Peat, T.S, Richard, R, Kan, L, Swanson, P.E, Affholter, J.A, Holmes, I.H, Schindler, J.F, Unkefer, C.J, Terwilliger, T.C. | Deposit date: | 1998-07-31 | Release date: | 2000-02-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Haloalkane dehalogenases: structure of a Rhodococcus enzyme. Biochemistry, 38, 1999
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4DEY
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2VAR
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![BU of 2var by Molmil](/molmil-images/mine/2var) | Crystal structure of Sulfolobus solfataricus 2-keto-3-deoxygluconate kinase complexed with 2-keto-3-deoxygluconate | Descriptor: | 2-KETO-3-DEOXYGLUCONATE, 3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acid, ADENOSINE MONOPHOSPHATE, ... | Authors: | Potter, J.A, Theodossis, A, Kerou, M, Lamble, H.J, Bull, S.D, Hough, D.W, Danson, M.J, Taylor, G.L. | Deposit date: | 2007-09-04 | Release date: | 2007-10-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Structure of Sulfolobus Solfataricus 2-Keto-3-Deoxygluconate Kinase. Acta Crystallogr.,Sect.D, 64, 2008
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1P6K
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![BU of 1p6k by Molmil](/molmil-images/mine/1p6k) | Rat neuronal NOS D597N mutant heme domain with L-N(omega)-nitroarginine-2,4-L-diaminobutyric amide bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, D-MANNITOL, ... | 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 (1.78 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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1W3G
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![BU of 1w3g by Molmil](/molmil-images/mine/1w3g) | Hemolytic lectin from the mushroom Laetiporus sulphureus complexed with two N-acetyllactosamine molecules. | Descriptor: | GLYCEROL, HEMOLYTIC LECTIN FROM LAETIPORUS SULPHUREUS, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose | Authors: | Mancheno, J.M, Tateno, H, Goldstein, I.J, Martinez-Ripoll, M, Hermoso, J.A. | Deposit date: | 2004-07-15 | Release date: | 2005-02-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structural Analysis of the Laetiporus Sulphureus Hemolytic Pore-Forming Lectin in Complex with Sugars J.Biol.Chem., 280, 2005
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1P92
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![BU of 1p92 by Molmil](/molmil-images/mine/1p92) | Crystal Structure of (H79A)DtxR | Descriptor: | BETA-MERCAPTOETHANOL, Diphtheria toxin repressor | Authors: | D'Aquino, J.A, Ringe, D. | Deposit date: | 2003-05-08 | Release date: | 2004-05-25 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Determinants of the SRC homology domain 3-like fold. J.Bacteriol., 185, 2003
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2VTA
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![BU of 2vta by Molmil](/molmil-images/mine/2vta) | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | Descriptor: | 1H-indazole, CELL DIVISION PROTEIN KINASE 2, GLYCEROL | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | Deposit date: | 2008-05-13 | Release date: | 2008-08-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
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4DGQ
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![BU of 4dgq by Molmil](/molmil-images/mine/4dgq) | Crystal structure of Non-heme chloroperoxidase from Burkholderia cenocepacia | Descriptor: | 1,2-ETHANEDIOL, Non-heme chloroperoxidase | Authors: | Gardberg, A.S, Edwards, T.E, Abendroth, J.A, Staker, B, Stewart, L, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2012-01-26 | Release date: | 2012-03-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of Non-heme chloroperoxidase from Burkholderia cenocepacia To be Published
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1P6N
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![BU of 1p6n by Molmil](/molmil-images/mine/1p6n) | Bovine endothelial NOS heme domain with L-N(omega)-nitroarginine-(4R)-amino-L-proline amide bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ... | 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 (2.5 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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1OY7
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![BU of 1oy7 by Molmil](/molmil-images/mine/1oy7) | Structure and Function Analysis of Peptide Antagonists of Melanoma Inhibitor of Apoptosis (ML-IAP) | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, AEVVAVKSE peptide, Baculoviral IAP repeat-containing protein 7, ... | Authors: | Franklin, M.C, Kadkhodayan, S, Ackerly, H, Alexandru, D, Distefano, M.D, Elliott, L.O, Flygare, J.A, Vucic, D, Deshayes, K, Fairbrother, W.J. | Deposit date: | 2003-04-03 | Release date: | 2003-08-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure and Function Analysis of Peptide Antagonists of Melanoma Inhibitor of Apoptosis (ML-IAP) Biochemistry, 42, 2003
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