4B9K
 
 | | pVHL-ELOB-ELOC complex_(2S,4R)-1-(3-amino-2-methylbenzoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide bound | | Descriptor: | (2S,4R)-1-(3-amino-2-methylbenzoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide, ACETATE ION, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, ... | | Authors: | Buckley, D.L, Gustafson, J.L, VanMolle, I, Roth, A.G, SeopTae, H, Gareiss, P.C, Jorgensen, W.L, Ciulli, A, Crews, C.M. | | Deposit date: | 2012-09-05 | | Release date: | 2012-10-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Small-Molecule Inhibitors of the Interaction between the E3 Ligase Vhl and Hif1 Alpha
Angew.Chem.Int.Ed.Engl., 51, 2012
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6BKO
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1ZDQ
 | | Crystal Structure of Met150Gly AfNiR with Methylsulfanyl Methane Bound | | Descriptor: | (METHYLSULFANYL)METHANE, COPPER (II) ION, Copper-containing nitrite reductase | | Authors: | Wijma, H.J, MacPherson, I.S, Alexandre, M, Diederix, R.E.M, Canters, G.W, Murphy, M.E.P, Verbeet, M.P. | | Deposit date: | 2005-04-14 | | Release date: | 2006-03-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A rearranging ligand enables allosteric control of catalytic activity in copper-containing nitrite reductase.
J.Mol.Biol., 358, 2006
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6TXF
 | | Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dAMPNPP and Mn | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ... | | Authors: | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A. | | Deposit date: | 2020-01-14 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
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1CQW
 | | NAI COCRYSTALLISED WITH HALOALKANE DEHALOGENASE FROM A RHODOCOCCUS SPECIES | | Descriptor: | HALOALKANE DEHALOGENASE; 1-CHLOROHEXANE HALIDOHYDROLASE, IODIDE ION | | 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: | 1999-08-11 | | Release date: | 1999-08-31 | | 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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1FQ7
 | | X-RAY STRUCTURE OF INHIBITOR CP-72,647 BOUND TO SACCHAROPEPSIN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-(tert-butoxycarbonyl)-L-phenylalanyl-N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-7-methyl-5-(methylcarbamoyl)octan-2-yl]-L-histidinamide, SACCHAROPEPSIN, ... | | Authors: | Cronin, N.B, Badasso, M.O, Tickle, I.J, Dreyer, T, Hoover, D.J, Rosati, R.L, Humblet, C.C, Lunney, E.A, Cooper, J.B. | | Deposit date: | 2000-09-04 | | Release date: | 2000-09-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | X-ray structures of five renin inhibitors bound to saccharopepsin: exploration of active-site specificity.
J.Mol.Biol., 303, 2000
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6BKS
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7SIT
 | | Crystal structure of Voltage gated potassium ion channel, Kv 1.2 chimera-3m | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OXYGEN ATOM, POTASSIUM ION, ... | | Authors: | Reddi, R, Matulef, K, Riederer, E.A, Whorton, M.R, Valiyaveetil, F.I. | | Deposit date: | 2021-10-14 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.32 Å) | | Cite: | Structural basis for C-type inactivation in a Shaker family voltage-gated K + channel.
Sci Adv, 8, 2022
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7SIZ
 | | C-type inactivation in a voltage gated K+ channel | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, Voltage gated potassium channel Kv1.2-Kv2.1, ... | | Authors: | Reddi, R, Riederer, E.A, Matulef, K, Whorton, M.R, Valiyaveetil, F.I. | | Deposit date: | 2021-10-15 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural basis for C-type inactivation in a Shaker family voltage-gated K + channel.
Sci Adv, 8, 2022
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4P3D
 | | MT1-MMP:Fab complex (Form II) | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Rozenberg, H, Udi, Y, Sagi, I. | | Deposit date: | 2014-03-07 | | Release date: | 2014-12-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.949 Å) | | Cite: | Inhibition mechanism of membrane metalloprotease by an exosite-swiveling conformational antibody.
Structure, 23, 2015
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3Q93
 | | Crystal Structure of Human 8-oxo-dGTPase (MTH1) | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, IMIDAZOLE, ... | | Authors: | Tresaugues, L, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Thorsell, A.G, Van Der Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-01-07 | | Release date: | 2011-03-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Human 8-oxo-dGTPase (MTH1)
To be Published
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4JUO
 | | A low-resolution three-gate structure of topoisomerase IV from Streptococcus pneumoniae in space group H32 | | Descriptor: | (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, DNA topoisomerase 4 subunit A, DNA topoisomerase 4 subunit B, ... | | Authors: | Laponogov, I, Veselkov, D.A, Pan, X.-S, Crevel, I, Fisher, L.M, Sanderson, M.R. | | Deposit date: | 2013-03-25 | | Release date: | 2013-08-28 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (6.53 Å) | | Cite: | Structure of an 'open' clamp type II topoisomerase-DNA complex provides a mechanism for DNA capture and transport.
Nucleic Acids Res., 41, 2013
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6VJV
 | | Crystal structure of the Prochlorococcus phage (myovirus P-SSM2) ferredoxin at 1.6 Angstroms | | Descriptor: | ACETATE ION, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin, ... | | Authors: | Olmos Jr, J.L, Campbell, I.J, Miller, M.D, Xu, W, Kahanda, D, Atkinson, J.T, Sparks, N, Bennett, G.N, Silberg, J.J, Phillips Jr, G.N. | | Deposit date: | 2020-01-17 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Prochlorococcusphage ferredoxin: structural characterization and electron transfer to cyanobacterial sulfite reductases.
J.Biol.Chem., 295, 2020
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1RBO
 | | SPINACH RUBISCO IN COMPLEX WITH THE INHIBITOR 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE | | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, RIBULOSE BISPHOSPHATE CARBOXYLASE/OXYGENASE | | Authors: | Taylor, T.C, Andersson, I. | | Deposit date: | 1996-10-31 | | Release date: | 1997-03-12 | | Last modified: | 2018-10-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A common structural basis for the inhibition of ribulose 1,5-bisphosphate carboxylase by 4-carboxyarabinitol 1,5-bisphosphate and xylulose 1,5-bisphosphate.
J.Biol.Chem., 271, 1996
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2JPT
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1Z0V
 | | Crystal Structure of A. fulgidus Lon proteolytic domain | | Descriptor: | Putative protease La homolog type | | Authors: | Dauter, Z, Botos, I, LaRonde-LeBlanc, N, Wlodawer, A. | | Deposit date: | 2005-03-02 | | Release date: | 2005-08-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Pathological crystallography: case studies of several unusual macromolecular crystals.
Acta Crystallogr.,Sect.D, 61, 2005
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1FQ8
 | | X-RAY STRUCTURE OF DIFLUOROSTATINE INHIBITOR CP81,198 BOUND TO SACCHAROPEPSIN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(methylamino)-5-oxo-pentan-2-yl]amino]-1-oxo-hexan-2 -yl]amino]-1-oxo-3-phenyl-propan-2-yl]morpholine-4-carboxamide, SACCHAROPEPSIN, ... | | Authors: | Cronin, N.B, Badasso, M.O, Tickle, I.J, Dreyer, T, Hoover, D.J, Rosati, R.L, Humblet, C.C, Lunney, E.A, Cooper, J.B. | | Deposit date: | 2000-09-04 | | Release date: | 2000-09-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | X-ray structures of five renin inhibitors bound to saccharopepsin: exploration of active-site specificity.
J.Mol.Biol., 303, 2000
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2C58
 | | Torpedo californica acetylcholinesterase in complex with 20mM acetylthiocholine | | Descriptor: | 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | | Authors: | Colletier, J.P, Fournier, D, Greenblatt, H.M, Sussman, J.L, Zaccai, G, Silman, I, Weik, M. | | Deposit date: | 2005-10-26 | | Release date: | 2006-06-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Insights Into Substrate Traffic and Inhibition in Acetylcholinesterase.
Embo J., 25, 2006
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1RJV
 | | Solution Structure of Human alpha-Parvalbumin refined with a paramagnetism-based strategy | | Descriptor: | CALCIUM ION, Parvalbumin alpha | | Authors: | Baig, I, Bertini, I, Del Bianco, C, Gupta, Y.K, Lee, Y.M, Luchinat, C, Quattrone, A, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2003-11-20 | | Release date: | 2004-05-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Paramagnetism-Based Refinement Strategy for the Solution Structure of Human alpha-Parvalbumin.
Biochemistry, 43, 2004
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1M5W
 | | 1.96 A Crystal Structure of Pyridoxine 5'-Phosphate Synthase in Complex with 1-deoxy-D-xylulose phosphate | | Descriptor: | 1-DEOXY-D-XYLULOSE-5-PHOSPHATE, PHOSPHATE ION, Pyridoxal phosphate biosynthetic protein pdxJ | | Authors: | Yeh, J.I, Du, S, Pohl, E, Cane, D.E. | | Deposit date: | 2002-07-10 | | Release date: | 2003-07-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Multistate Binding in Pyridoxine 5'-Phosphate Synthase: 1.96 A Crystal Structure in
Complex with 1-deoxy-D-xylulose phosphate
Biochemistry, 41, 2002
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6MA6
 | | Human CYP3A4 bound to an inhibitor metyrapone | | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450 3A4, GLYCEROL, ... | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2018-08-26 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.182 Å) | | Cite: | Interaction of Human Drug-Metabolizing CYP3A4 with Small Inhibitory Molecules.
Biochemistry, 58, 2019
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1NB3
 | | Crystal structure of stefin A in complex with cathepsin H: N-terminal residues of inhibitors can adapt to the active sites of endo-and exopeptidases | | Descriptor: | CATHEPSIN H MINI CHAIN, Cathepsin H, Stefin A, ... | | Authors: | Jenko, S, Dolenc, I, Guncar, G, Dobersek, A, Podobnik, M, Turk, D. | | Deposit date: | 2002-12-02 | | Release date: | 2003-02-18 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of stefin A in complex with cathepsin H: N-terminal residues of inhibitors can adapt to the active sites of endo- and exopeptidases
J.Mol.Biol., 326, 2003
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2JDV
 | | Structure of PKA-PKB chimera complexed with A-443654 | | Descriptor: | (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE, CAMP-DEPENDENT PROTEIN KINASE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA | | Authors: | Davies, T.G, Verdonk, M.L, Graham, B, Saalau-Bethell, S, Hamlett, C.C.F, Mchardy, T, Collins, I, Garrett, M.D, Workman, P, Woodhead, S.J, Jhoti, H, Barford, D. | | Deposit date: | 2007-01-12 | | Release date: | 2007-02-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | A Structural Comparison of Inhibitor Binding to Pkb, Pka and Pka-Pkb Chimera
J.Mol.Biol., 367, 2007
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2XNB
 | | Discovery and Characterisation of 2-Anilino-4-(thiazol-5-yl) pyrimidine Transcriptional CDK Inhibitors as Anticancer Agents | | Descriptor: | 3,4-DIMETHYL-5-(2-{[(1Z)-4-PIPERAZIN-1-YLCYCLOHEXA-2,4-DIEN-1-YLIDENE]AMINO}PYRIMIDIN-4-YL)-1,3-THIAZOL-2(3H)-ONE, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Wang, S, Griffiths, G, Midgley, C.A, Barnett, A.L, Cooper, M, Grabarek, J, Ingram, L, Jackson, W, Kontopidis, G, McClue, S.J, McInnes, C, McLachlan, J, Meades, C, Mezna, M, Stuart, I, Thomas, M.P, Zheleva, D.I, Lane, D.P, Jackson, R.C, Glover, D.M, Blake, D.G, Fischer, P.M. | | Deposit date: | 2010-08-01 | | Release date: | 2010-11-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery and Characterisation of 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Transcriptional Cdk Inhibitors as Anticancer Agents
Chem.Biol., 17, 2010
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6MDO
 | | The D1 and D2 domain rings of NSF engaging the SNAP-25 N-terminus within the 20S supercomplex (focused refinement on D1/D2 rings, class 1) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Synaptosomal-associated protein 25, ... | | Authors: | White, K.I, Zhao, M, Brunger, A.T. | | Deposit date: | 2018-09-04 | | Release date: | 2018-09-19 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural principles of SNARE complex recognition by the AAA+ protein NSF.
Elife, 7, 2018
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