1GUM
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![BU of 1gum by Molmil](/molmil-images/mine/1gum) | HUMAN GLUTATHIONE TRANSFERASE A4-4 WITHOUT LIGANDS | Descriptor: | PROTEIN (GLUTATHIONE TRANSFERASE A4-4) | Authors: | Bruns, C.M, Hubatsch, I, Ridderstrom, M, Mannervik, B, Tainer, J.A. | Deposit date: | 1998-06-11 | Release date: | 1999-01-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Human glutathione transferase A4-4 crystal structures and mutagenesis reveal the basis of high catalytic efficiency with toxic lipid peroxidation products J.Mol.Biol., 288, 1999
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3S38
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![BU of 3s38 by Molmil](/molmil-images/mine/3s38) | Structure of Thermus thermophilus cytochrome ba3 oxidase 30s after Xe depressurization | Descriptor: | COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ... | Authors: | Luna, V.M, Fee, J.A, Deniz, A.A, Stout, C.D. | Deposit date: | 2011-05-17 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Mobility of Xe atoms within the oxygen diffusion channel of cytochrome ba(3) oxidase. Biochemistry, 51, 2012
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3S47
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![BU of 3s47 by Molmil](/molmil-images/mine/3s47) | Crystal structure of enolase superfamily member from Clostridium beijerincki complexed with Mg | Descriptor: | MAGNESIUM ION, Mandelate racemase/muconate lactonizing protein | Authors: | Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C. | Deposit date: | 2011-05-18 | Release date: | 2012-05-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of enolase superfamily member from Clostridium beijerincki complexed with Mg To be Published
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1GU6
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![BU of 1gu6 by Molmil](/molmil-images/mine/1gu6) | Structure of the Periplasmic Cytochrome c Nitrite Reductase from Escherichia coli | Descriptor: | CALCIUM ION, CYTOCHROME C552, GLYCEROL, ... | Authors: | Bamford, V.A, Angove, H.C, Seward, H.E, Thomson, A.J, Cole, J.A, Butt, J.N, Hemmings, A.M, Richardson, D.J. | Deposit date: | 2002-01-24 | Release date: | 2002-03-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure and Spectroscopy of the Periplasmic Cytochrome C Nitrite Reductase from Escherichia Coli Biochemistry, 41, 2002
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3S8G
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![BU of 3s8g by Molmil](/molmil-images/mine/3s8g) | 1.8 A structure of ba3 cytochrome c oxidase mutant (A120F) from Thermus thermophilus in lipid environment | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ... | Authors: | Tiefenbrunn, T, Liu, W, Chen, Y, Katritch, V, Stout, C.D, Fee, J.A, Cherezov, V. | Deposit date: | 2011-05-27 | Release date: | 2011-08-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High resolution structure of the ba3 cytochrome c oxidase from Thermus thermophilus in a lipidic environment. Plos One, 6, 2011
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1H07
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![BU of 1h07 by Molmil](/molmil-images/mine/1h07) | CDK2 in complex with a disubstituted 4, 6-bis anilino pyrimidine CDK4 inhibitor | Descriptor: | ((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)ACETONITRILE, ((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2S)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)ACETONITRILE, CELL DIVISION PROTEIN KINASE 2 | Authors: | Beattie, J.F, Breault, G.A, Ellston, R.P.A, Green, S, Jewsbury, P.J, Midgley, C.J, Naven, R.T, Minshull, C.A, Pauptit, R.A, Tucker, J.A, Pease, J.E. | Deposit date: | 2002-06-11 | Release date: | 2003-07-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines Bioorg.Med.Chem.Lett., 13, 2003
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3S3A
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![BU of 3s3a by Molmil](/molmil-images/mine/3s3a) | Structure of Thermus thermophilus cytochrome ba3 oxidase 120s after Xe depressurization | Descriptor: | COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ... | Authors: | Luna, V.M, Fee, J.A, Deniz, A.A, Stout, C.D. | Deposit date: | 2011-05-18 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (4.25 Å) | Cite: | Mobility of Xe atoms within the oxygen diffusion channel of cytochrome ba(3) oxidase. Biochemistry, 51, 2012
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3T4B
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![BU of 3t4b by Molmil](/molmil-images/mine/3t4b) | Crystal Structure of the HCV IRES pseudoknot domain | Descriptor: | HCV IRES pseudoknot domain plus crystallization module, NICKEL (II) ION | Authors: | Berry, K.E, Waghray, S, Mortimer, S.A, Bai, Y, Doudna, J.A. | Deposit date: | 2011-07-25 | Release date: | 2011-10-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.55 Å) | Cite: | Crystal structure of the HCV IRES central domain reveals strategy for start-codon positioning. Structure, 19, 2011
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5ANW
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![BU of 5anw by Molmil](/molmil-images/mine/5anw) | MTH1 in complex with compound 24 | Descriptor: | 2-[4-(2-AMINOQUINAZOLIN-4-YL)PHENYL]-N,N-DIMETHYL-ACETAMIDE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE | Authors: | Read, J.A, Breed, J. | Deposit date: | 2015-09-08 | Release date: | 2016-03-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival. J.Med.Chem., 59, 2016
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1GO2
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![BU of 1go2 by Molmil](/molmil-images/mine/1go2) | Structure of Ferredoxin-NADP+ Reductase with Lys 72 replaced by Glu (K72E) | Descriptor: | FERREDOXIN--NADP+ REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | Authors: | Hermoso, J.A, Mayoral, T, Medina, M, Sanz-Aparicio, J, Gomez-Moreno, C. | Deposit date: | 2001-10-15 | Release date: | 2002-10-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Analysis of Interactions for Complex Formation between Ferredoxin-Nadp+ Reductase and its Protein Partners Proteins: Struct.,Funct., Genet., 59, 2005
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3SR2
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![BU of 3sr2 by Molmil](/molmil-images/mine/3sr2) | Crystal Structure of Human XLF-XRCC4 Complex | Descriptor: | DNA repair protein XRCC4, Non-homologous end-joining factor 1 | Authors: | Hammel, M, Classen, S, Tainer, J.A. | Deposit date: | 2011-07-06 | Release date: | 2011-07-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.9708 Å) | Cite: | XRCC4 Protein Interactions with XRCC4-like Factor (XLF) Create an Extended Grooved Scaffold for DNA Ligation and Double Strand Break Repair. J.Biol.Chem., 286, 2011
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1FQA
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![BU of 1fqa by Molmil](/molmil-images/mine/1fqa) | STRUCTURE OF MALTOTETRAITOL BOUND TO OPEN-FORM MALTODEXTRIN BINDING PROTEIN IN P2(1)CRYSTAL FORM | Descriptor: | MALTODEXTRIN-BINDING PROTEIN, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-sorbitol | Authors: | Duan, X, Hall, J.A, Nikaido, H, Quiocho, F.A. | Deposit date: | 2000-09-04 | Release date: | 2001-03-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of the maltodextrin/maltose-binding protein complexed with reduced oligosaccharides: flexibility of tertiary structure and ligand binding. J.Mol.Biol., 306, 2001
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3SW4
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![BU of 3sw4 by Molmil](/molmil-images/mine/3sw4) | |
1FQR
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![BU of 1fqr by Molmil](/molmil-images/mine/1fqr) | X-RAY CRYSTAL STRUCTURE OF COBALT-BOUND F93I/F95M/W97V CARBONIC ANHYDRASE (CAII) VARIANT | Descriptor: | CARBONIC ANHYDRASE, COBALT (II) ION | Authors: | Cox, J.D, Hunt, J.A, Compher, K.M, Fierke, C.A, Christianson, D.W. | Deposit date: | 2000-09-06 | Release date: | 2001-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural influence of hydrophobic core residues on metal binding and specificity in carbonic anhydrase II. Biochemistry, 39, 2000
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3SPF
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![BU of 3spf by Molmil](/molmil-images/mine/3spf) | Crystal Structure of Bcl-xL bound to BM501 | Descriptor: | 4-(4-chlorophenyl)-1-[(3S)-3,4-dihydroxybutyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1H-pyrrole-2-carboxamide, Bcl-2-like protein 1, GLYCEROL | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2011-07-01 | Release date: | 2012-06-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design of Bcl-2 and Bcl-xL Inhibitors with Subnanomolar Binding Affinities Based upon a New Scaffold. J.Med.Chem., 55, 2012
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1FR7
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![BU of 1fr7 by Molmil](/molmil-images/mine/1fr7) | X-RAY CRYSTAL STRUCTURE OF ZINC-BOUND F93S/F95L/W97M CARBONIC ANHYDRASE (CAII) VARIANT | Descriptor: | CARBONIC ANHYDRASE II, ZINC ION | Authors: | Cox, J.D, Hunt, J.A, Compher, K.M, Fierke, C.A, Christianson, D.W. | Deposit date: | 2000-09-07 | Release date: | 2001-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural influence of hydrophobic core residues on metal binding and specificity in carbonic anhydrase II. Biochemistry, 39, 2000
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1FSR
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![BU of 1fsr by Molmil](/molmil-images/mine/1fsr) | X-RAY CRYSTAL STRUCTURE OF COPPER-BOUND F93S/F95L/W97M CARBONIC ANHYDRASE (CAII) VARIANT | Descriptor: | CARBONIC ANHYDRASE II, COPPER (II) ION | Authors: | Cox, J.D, Hunt, J.A, Compher, K.M, Fierke, C.A, Christianson, D.W. | Deposit date: | 2000-09-11 | Release date: | 2001-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural influence of hydrophobic core residues on metal binding and specificity in carbonic anhydrase II. Biochemistry, 39, 2000
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1FBQ
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![BU of 1fbq by Molmil](/molmil-images/mine/1fbq) | |
3S8E
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![BU of 3s8e by Molmil](/molmil-images/mine/3s8e) | |
3SBF
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![BU of 3sbf by Molmil](/molmil-images/mine/3sbf) | Crystal structure of the mutant P311A of enolase superfamily member from VIBRIONALES BACTERIUM complexed with Mg and D-Arabinonate | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, D-arabinonic acid, MAGNESIUM ION, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C. | Deposit date: | 2011-06-04 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of the mutant P311A of enolase superfamily member from Vibrionales bacterium complexed with Mg and D-Arabinonate To be Published
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3SHL
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![BU of 3shl by Molmil](/molmil-images/mine/3shl) | Crystal structure of Staphylococcal nuclease variant Delta+PHS V74KL25A at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Sue, G, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2011-06-16 | Release date: | 2011-06-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Redirection of internal ionizable residues by engineered cavities To be Published
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5ANV
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![BU of 5anv by Molmil](/molmil-images/mine/5anv) | MTH1 in complex with compound 15 | Descriptor: | 4-(4-CHLORO-2-FLUORO-ANILINO)-6,7-DIMETHOXY-N-METHYL-QUINOLINE-3-CARBOXAMIDE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE | Authors: | Read, J.A, Breed, J. | Deposit date: | 2015-09-08 | Release date: | 2016-03-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival. J.Med.Chem., 59, 2016
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1HX8
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![BU of 1hx8 by Molmil](/molmil-images/mine/1hx8) | CRYSTAL STRUCTURE OF N-TERMINAL DOMAIN OF DROSOPHILA AP180 | Descriptor: | SULFATE ION, SYNAPSE-ENRICHED CLATHRIN ADAPTOR PROTEIN LAP | Authors: | Mao, Y, Chen, J, Maynard, J.A, Zhang, B, Quiocho, F.A. | Deposit date: | 2001-01-12 | Release date: | 2001-02-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A novel all helix fold of the AP180 amino-terminal domain for phosphoinositide binding and clathrin assembly in synaptic vesicle endocytosis. Cell(Cambridge,Mass.), 104, 2001
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1HOW
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![BU of 1how by Molmil](/molmil-images/mine/1how) | THE X-RAY CRYSTAL STRUCTURE OF SKY1P, AN SR PROTEIN KINASE IN YEAST | Descriptor: | 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE YMR216C, SULFATE ION | Authors: | Nolen, B.J, Yun, C.Y, Wong, C.F, McCammon, J.A, Fu, X.-D, Ghosh, G. | Deposit date: | 2000-12-11 | Release date: | 2001-02-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The structure of Sky1p reveals a novel mechanism for constitutive activity. Nat.Struct.Biol., 8, 2001
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3SIZ
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![BU of 3siz by Molmil](/molmil-images/mine/3siz) | Crystal structure of the mutant S127A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine 5'-phosphate decarboxylase | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | Deposit date: | 2011-06-20 | Release date: | 2011-06-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.321 Å) | Cite: | Crystal structure of the mutant S127A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP To be Published
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