3NOL
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![BU of 3nol by Molmil](/molmil-images/mine/3nol) | Crystal structure of Zymomonas mobilis Glutaminyl Cyclase (trigonal form) | Descriptor: | CALCIUM ION, GLYCEROL, Glutamine cyclotransferase, ... | Authors: | Parthier, C, Carrillo, D.R, Stubbs, M.T. | Deposit date: | 2010-06-25 | Release date: | 2010-11-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Kinetic and structural characterization of bacterial glutaminyl cyclases from Zymomonas mobilis and Myxococcus xanthus Biol.Chem., 391, 2010
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6D43
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2XU2
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![BU of 2xu2 by Molmil](/molmil-images/mine/2xu2) | Crystal Structure of the hypothetical protein PA4511 from Pseudomonas aeruginosa | Descriptor: | CITRIC ACID, UPF0271 PROTEIN PA4511 | Authors: | Oke, M, Carter, L.G, Johnson, K.A, Liu, H, McMahon, S.A, White, M.F, Naismith, J.H. | Deposit date: | 2010-10-14 | Release date: | 2011-01-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics, 11, 2010
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3I6Y
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![BU of 3i6y by Molmil](/molmil-images/mine/3i6y) | Structure of an esterase from the oil-degrading bacterium Oleispira antarctica | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Singer, A.U, Evdokimova, E, Kagan, O, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-07-07 | Release date: | 2009-07-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure and activity of the cold-active and anion-activated carboxyl esterase OLEI01171 from the oil-degrading marine bacterium Oleispira antarctica. Biochem.J., 445, 2012
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6UVD
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![BU of 6uvd by Molmil](/molmil-images/mine/6uvd) | Crystal structure of BCL-XL bound to compound 2: (2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid | Descriptor: | (2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ... | Authors: | Roy, M.J, Birkinshaw, R, Lessene, G, Czabotar, P.E. | Deposit date: | 2019-11-02 | Release date: | 2021-05-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2. J.Med.Chem., 64, 2021
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1YHM
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![BU of 1yhm by Molmil](/molmil-images/mine/1yhm) | Structure of the complex of Trypanosoma cruzi farnesyl disphosphate synthase with alendronate, Isopentenyl diphosphate and mg+2 | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, MAGNESIUM ION, ... | Authors: | Gabelli, S.B, McLellan, J.S, Montalvetti, A, Oldfield, E, Docampo, R, Amzel, L.M. | Deposit date: | 2005-01-09 | Release date: | 2005-12-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure and mechanism of the farnesyl diphosphate synthase from Trypanosoma cruzi: Implications for drug design. Proteins, 62, 2005
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5H46
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![BU of 5h46 by Molmil](/molmil-images/mine/5h46) | Mycobacterium smegmatis Dps1 mutant - F47E | Descriptor: | DNA protection during starvation protein, FE (II) ION | Authors: | Williams, S.M, Chandran, A.V, Vijayan, M, Chatterji, D. | Deposit date: | 2016-10-31 | Release date: | 2017-09-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A Mutation Directs the Structural Switch of DNA Binding Proteins under Starvation to a Ferritin-like Protein Cage. Structure, 25, 2017
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5GVY
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![BU of 5gvy by Molmil](/molmil-images/mine/5gvy) | Crystal structure of SALT protein from Oryza sativa | Descriptor: | Salt stress-induced protein, alpha-D-mannopyranose | Authors: | Sharma, P, Sagar, A, Kaur, N, Sharma, I, Kirat, K, Ashish, F.N.U, Pati, P.K. | Deposit date: | 2016-09-07 | Release date: | 2017-09-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.662 Å) | Cite: | Structural insights into rice SalTol QTL located SALT protein. Sci Rep, 10, 2020
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3PQC
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![BU of 3pqc by Molmil](/molmil-images/mine/3pqc) | Crystal structure of Thermotoga maritima ribosome biogenesis GTP-binding protein EngB (YsxC/YihA) in complex with GDP | Descriptor: | DI(HYDROXYETHYL)ETHER, GUANOSINE-5'-DIPHOSPHATE, Probable GTP-binding protein engB | Authors: | Chan, K.H, Wong, K.B. | Deposit date: | 2010-11-26 | Release date: | 2011-06-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of an essential GTPase, YsxC, from Thermotoga maritima Acta Crystallogr.,Sect.F, 67, 2011
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6K1J
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![BU of 6k1j by Molmil](/molmil-images/mine/6k1j) | Human nucleosome core particle with H2A.X variant | Descriptor: | CHLORIDE ION, DNA (145-MER), Histone H2AX, ... | Authors: | Sharma, D, De Falco, L, Davey, C.A. | Deposit date: | 2019-05-10 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | PARP1 exhibits enhanced association and catalytic efficiency with gamma H2A.X-nucleosome. Nat Commun, 10, 2019
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4IAH
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![BU of 4iah by Molmil](/molmil-images/mine/4iah) | Crystal Structure of BAY 60-2770 bound C139A H-NOX domain with S-nitrosylated conserved C122 | Descriptor: | 4-({(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid, Alr2278 protein, MALONATE ION | Authors: | Kumar, V, van den Akker, F. | Deposit date: | 2012-12-06 | Release date: | 2013-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Insights into BAY 60-2770 Activation and S-Nitrosylation-Dependent Desensitization of Soluble Guanylyl Cyclase via Crystal Structures of Homologous Nostoc H-NOX Domain Complexes. Biochemistry, 52, 2013
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1AJ6
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![BU of 1aj6 by Molmil](/molmil-images/mine/1aj6) | |
4ABB
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4ABH
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![BU of 4abh by Molmil](/molmil-images/mine/4abh) | Fragments bound to bovine trypsin for the SAMPL challenge | Descriptor: | 1,2-ETHANEDIOL, 1-(3-PYRROLIDIN-1-YLPHENYL)METHANAMINE, CALCIUM ION, ... | Authors: | Newman, J, Peat, T.S. | Deposit date: | 2011-12-08 | Release date: | 2012-02-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012
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4ABJ
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![BU of 4abj by Molmil](/molmil-images/mine/4abj) | Co-complex structure of bovine trypsin with a modified Bowman-Birk inhibitor (IcA)SFTI-1(1,14), that was 1,5-disubstituted with 1,2,3- trizol to mimic a cis amide bond | Descriptor: | CALCIUM ION, CATIONIC TRYPSIN, DIMETHYLFORMAMIDE, ... | Authors: | Schmelz, S, Empting, M, Tischler, M, Nasu, D, Heinz, D, Kolmar, H. | Deposit date: | 2011-12-08 | Release date: | 2012-03-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Braces for the Peptide Backbone: Insights Into Structure-Activity Relation-Ships of Protease Inhibitor Mimics with Locked Amide Conformations Angew.Chem.Int.Ed.Engl., 51, 2012
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4ABF
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![BU of 4abf by Molmil](/molmil-images/mine/4abf) | Fragments bound to bovine trypsin for the SAMPL challenge | Descriptor: | 1,2-ETHANEDIOL, 1-(5-BROMO-1-BENZOTHIOPHEN-3-YL)METHANAMINE, CALCIUM ION, ... | Authors: | Newman, J, Peat, T.S. | Deposit date: | 2011-12-08 | Release date: | 2012-02-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012
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4ABG
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![BU of 4abg by Molmil](/molmil-images/mine/4abg) | Fragments bound to bovine trypsin for the SAMPL challenge | Descriptor: | 1,2-ETHANEDIOL, 1-[3-(4-METHYLPIPERAZIN-1-YL)PHENYL]METHANAMINE, CALCIUM ION, ... | Authors: | Newman, J, Peat, T.S. | Deposit date: | 2011-12-08 | Release date: | 2012-02-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012
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4ABA
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![BU of 4aba by Molmil](/molmil-images/mine/4aba) | Fragments bound to bovine trypsin for the SAMPL challenge | Descriptor: | 1,2-ETHANEDIOL, 1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine, CALCIUM ION, ... | Authors: | Newman, J, Peat, T.S. | Deposit date: | 2011-12-08 | Release date: | 2012-02-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012
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4AB8
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![BU of 4ab8 by Molmil](/molmil-images/mine/4ab8) | Fragments bound to bovine trypsin for the SAMPL challenge | Descriptor: | 1,2-ETHANEDIOL, 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine, CALCIUM ION, ... | Authors: | Newman, J, Peat, T.S. | Deposit date: | 2011-12-08 | Release date: | 2012-02-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012
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4ABD
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![BU of 4abd by Molmil](/molmil-images/mine/4abd) | Fragments bound to bovine trypsin for the SAMPL challenge | Descriptor: | 1,2-ETHANEDIOL, 1-[3-(1H-pyrrol-1-yl)phenyl]methanamine, CALCIUM ION, ... | Authors: | Newman, J, Peat, T.S. | Deposit date: | 2011-12-08 | Release date: | 2012-02-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012
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4ABE
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4AB9
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![BU of 4ab9 by Molmil](/molmil-images/mine/4ab9) | Fragments bound to bovine trypsin for the SAMPL challenge | Descriptor: | 1,2-ETHANEDIOL, 1-(2,3-dihydro-1-benzofuran-5-yl)methanamine, CALCIUM ION, ... | Authors: | Newman, J, Peat, T.S. | Deposit date: | 2011-12-08 | Release date: | 2012-02-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012
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3PR1
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![BU of 3pr1 by Molmil](/molmil-images/mine/3pr1) | |
6ZGL
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![BU of 6zgl by Molmil](/molmil-images/mine/6zgl) | |
3LGU
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![BU of 3lgu by Molmil](/molmil-images/mine/3lgu) | Y162A mutant of the DegS-deltaPDZ protease | Descriptor: | Protease degS | Authors: | Sohn, J, Grant, R.A, Sauer, R.T. | Deposit date: | 2010-01-21 | Release date: | 2010-08-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Allostery is an intrinsic property of the protease domain of DegS: implications for enzyme function and evolution. J.Biol.Chem., 285, 2010
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