4RKJ
 
 | | Crystal structure of thrombin mutant S195T (free form) | | Descriptor: | GLYCEROL, POTASSIUM ION, Thrombin heavy chain, ... | | Authors: | Pelc, A.L, Chen, Z, Gohara, D.W, Vogt, A.D, Pozzi, N, Di Cera, E. | | Deposit date: | 2014-10-13 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Why ser and not thr brokers catalysis in the trypsin fold.
Biochemistry, 54, 2015
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3G4D
 | | Crystal Structure of (+)-delta-Cadinene Synthase from Gossypium arboreum and Evolutionary Divergence of Metal Binding Motifs for Catalysis | | Descriptor: | (+)-delta-cadinene synthase isozyme XC1, BETA-MERCAPTOETHANOL, GLYCEROL | | Authors: | Gennadios, H.A, Di Costanzo, L, Miller, D.J, Allemann, R.K, Christianson, D.W. | | Deposit date: | 2009-02-03 | | Release date: | 2009-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.403 Å) | | Cite: | Crystal structure of (+)-delta-cadinene synthase from Gossypium arboreum and evolutionary divergence of metal binding motifs for catalysis.
Biochemistry, 48, 2009
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6CL0
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3DCN
 | | Glomerella cingulata apo cutinase | | Descriptor: | Cutinase | | Authors: | Nyon, M.P, Rice, D.W, Berrisford, J.M, Hounslow, A.M, Moir, A.J.G, Huang, H, Nathan, S, Mahadi, N.M, Farah Diba, A.B, Craven, C.J. | | Deposit date: | 2008-06-04 | | Release date: | 2008-11-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Catalysis by Glomerella cingulata Cutinase Requires Conformational Cycling between the Active and Inactive States of Its Catalytic Triad
J.Mol.Biol., 385, 2009
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3DEA
 | | Glomerella cingulata PETFP-cutinase complex | | Descriptor: | 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one, Cutinase | | Authors: | Nyon, M.P, Rice, D.W, Berrisford, J.M, Hounslow, A.M, Moir, A.J.G, Huang, H, Nathan, S, Mahadi, N.M, Farah Diba, A.B, Craven, C.J. | | Deposit date: | 2008-06-09 | | Release date: | 2008-11-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Catalysis by Glomerella cingulata Cutinase Requires Conformational Cycling between the Active and Inactive States of Its Catalytic Triad
J.Mol.Biol., 385, 2009
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4RKX
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3FYM
 | | The 1A structure of YmfM, a putative DNA-binding membrane protein from Staphylococcus aureus | | Descriptor: | Putative uncharacterized protein, ZINC ION | | Authors: | Xu, L, Sedelnikova, S.E, Baker, P.J, Rice, D.W. | | Deposit date: | 2009-01-22 | | Release date: | 2010-02-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | The 1A structure of YmfM, a putative DNA-binding membrane protein from Staphylococcus aureus
To be Published
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3FZ0
 | | Inosine-Guanosine Nucleoside Hydrolase (IG-NH) | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Nucleoside hydrolase, ... | | Authors: | Vandemeulebroucke, A, Minici, C, Bruno, I, Muzzolini, L, Tornaghi, P, Parkin, D.W, Schramm, V.L, Versees, W, Steyaert, J, Degano, M. | | Deposit date: | 2009-01-23 | | Release date: | 2010-01-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and mechanism of the 6-oxopurine nucleosidase from Trypanosoma brucei brucei
Biochemistry, 49, 2010
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4RN1
 | | Crystal structure of S39D HDAC8 in complex with a largazole analogue. | | Descriptor: | (5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,20,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione, GLYCEROL, Histone deacetylase 8, ... | | Authors: | Decroos, C, Christianson, D.W. | | Deposit date: | 2014-10-22 | | Release date: | 2015-04-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Variable Active Site Loop Conformations Accommodate the Binding of Macrocyclic Largazole Analogues to HDAC8.
Biochemistry, 54, 2015
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6CL2
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3FIB
 | | RECOMBINANT HUMAN GAMMA-FIBRINOGEN CARBOXYL TERMINAL FRAGMENT (RESIDUES 143-411) BOUND TO CALCIUM AT PH 6.0: A FURTHER REFINEMENT OF PDB ENTRY 1FIB, AND DIFFERS FROM 1FIB BY THE MODELLING OF A CIS PEPTIDE BOND BETWEEN RESIDUES K338 AND C339 | | Descriptor: | CALCIUM ION, FIBRINOGEN GAMMA CHAIN RESIDUES | | Authors: | Pratt, K.P, Cote, H.C.F, Chung, D.W, Stenkamp, R.E, Davie, E.W. | | Deposit date: | 1997-07-14 | | Release date: | 1997-09-17 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The primary fibrin polymerization pocket: three-dimensional structure of a 30-kDa C-terminal gamma chain fragment complexed with the peptide Gly-Pro-Arg-Pro.
Proc.Natl.Acad.Sci.USA, 94, 1997
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4RN0
 | | Crystal structure of S39D HDAC8 in complex with a largazole analogue. | | Descriptor: | (5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3,17-dithia-7,10,14,19,20-pentaazatricyclo[14.2.1.1~2,5~]icosa-1(18),2(20),16(19)-triene-6,9,13-trione, GLYCEROL, Histone deacetylase 8, ... | | Authors: | Decroos, C, Christianson, D.W. | | Deposit date: | 2014-10-22 | | Release date: | 2015-04-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.761 Å) | | Cite: | Variable Active Site Loop Conformations Accommodate the Binding of Macrocyclic Largazole Analogues to HDAC8.
Biochemistry, 54, 2015
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6CKZ
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6CSQ
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4RVE
 | | THE CRYSTAL STRUCTURE OF ECORV ENDONUCLEASE AND OF ITS COMPLEXES WITH COGNATE AND NON-COGNATE DNA SEGMENTS | | Descriptor: | DNA (5'-D(*GP*GP*GP*AP*TP*AP*TP*CP*CP*C)-3'), PROTEIN (ECO RV (E.C.3.1.21.4)) | | Authors: | Winkler, F.K, Banner, D.W, Oefner, C, Tsernoglou, D, Brown, R.S, Heathman, S.P, Bryan, R.K, Martin, P.D, Petratos, K, Wilso, K.S. | | Deposit date: | 1993-02-18 | | Release date: | 1993-04-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The crystal structure of EcoRV endonuclease and of its complexes with cognate and non-cognate DNA fragments.
EMBO J., 12, 1993
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3BUV
 | | Crystal structure of human Delta(4)-3-ketosteroid 5-beta-reductase in complex with NADP and HEPES. Resolution: 1.35 A. | | Descriptor: | 3-oxo-5-beta-steroid 4-dehydrogenase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ... | | Authors: | Di Costanzo, L, Drury, J, Penning, T.M, Christianson, D.W. | | Deposit date: | 2008-01-03 | | Release date: | 2008-04-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Crystal Structure of Human Liver {Delta}4-3-Ketosteroid 5{beta}-Reductase (AKR1D1) and Implications for Substrate Binding and Catalysis.
J.Biol.Chem., 283, 2008
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4DBU
 | | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 3-((4 -(trifluoromethyl)phenyl)amino)benzoic acid | | Descriptor: | 3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Chen, M, Christianson, D.W, Winkler, J.D, Penning, T.M. | | Deposit date: | 2012-01-16 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.528 Å) | | Cite: | Crystal structures of AKR1C3 containing an N-(aryl)amino-benzoate inhibitor and a bifunctional AKR1C3 inhibitor and androgen receptor antagonist. Therapeutic leads for castrate resistant prostate cancer.
Bioorg.Med.Chem.Lett., 22, 2012
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6C54
 | | Ebola nucleoprotein nucleocapsid-like assembly and the asymmetric unit | | Descriptor: | Nucleoprotein | | Authors: | Su, Z, Wu, C, Pintilie, G.D, Chiu, W, Amarasinghe, G.K, Leung, D.W. | | Deposit date: | 2018-01-13 | | Release date: | 2018-03-07 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (5.8 Å) | | Cite: | Electron Cryo-microscopy Structure of Ebola Virus Nucleoprotein Reveals a Mechanism for Nucleocapsid-like Assembly.
Cell, 172, 2018
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3FI7
 | | Crystal Structure of the autolysin Auto (Lmo1076) from Listeria monocytogenes, catalytic domain | | Descriptor: | Lmo1076 protein, SULFATE ION | | Authors: | Bublitz, M, Polle, L, Holland, C, Nimtz, M, Heinz, D.W, Schubert, W.D. | | Deposit date: | 2008-12-11 | | Release date: | 2009-04-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural basis for autoinhibition and activation of Auto, a virulence-associated peptidoglycan hydrolase of Listeria monocytogenes.
Mol.Microbiol., 71, 2009
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6CA2
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4DPP
 | | The structure of dihydrodipicolinate synthase 2 from Arabidopsis thaliana | | Descriptor: | Dihydrodipicolinate synthase 2, chloroplastic, SODIUM ION | | Authors: | Griffin, M.D.W, Billakanti, J.M, Gerrard, J.A, Dobson, R.C.J, Pearce, F.G. | | Deposit date: | 2012-02-14 | | Release date: | 2012-07-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Characterisation of the first enzymes committed to lysine biosynthesis in Arabidopsis thaliana
Plos One, 7, 2012
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7U6B
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4RKO
 | | Crystal structure of thrombin mutant S195T bound with PPACK | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | | Authors: | Pelc, A.L, Chen, Z, Gohara, D.W, Vogt, A.D, Pozzi, N, Di Cera, E. | | Deposit date: | 2014-10-13 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Why ser and not thr brokers catalysis in the trypsin fold.
Biochemistry, 54, 2015
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6AX9
 | | F95N Epi-isozizaene synthase | | Descriptor: | Epi-isozizaene synthase, MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, ... | | Authors: | Blank, P.N, Barrow, G.H, Christianson, D.W. | | Deposit date: | 2017-09-06 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.403 Å) | | Cite: | Substitution of Aromatic Residues with Polar Residues in the Active Site Pocket of epi-Isozizaene Synthase Leads to the Generation of New Cyclic Sesquiterpenes.
Biochemistry, 56, 2017
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3FKE
 | | Structure of the Ebola VP35 Interferon Inhibitory Domain | | Descriptor: | Polymerase cofactor VP35 | | Authors: | Amarasinghe, G.K, Leung, D.W, Ginder, N.D, Honzatko, R.B, Nix, J, Basler, C.F, Fulton, D.B. | | Deposit date: | 2008-12-16 | | Release date: | 2009-01-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of the Ebola VP35 interferon inhibitory domain.
Proc.Natl.Acad.Sci.USA, 106, 2009
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