3OH2
 
 | | Protein structure of USP from L. major bound to URIDINE-5'-DIPHOSPHATE-GALACTOSE | | Descriptor: | GALACTOSE-URIDINE-5'-DIPHOSPHATE, GLYCEROL, UDP-sugar pyrophosphorylase | | Authors: | Dickmanns, A, Damerow, S, Neumann, P, Schulz, E.-C, Lamerz, A, Routier, F, Ficner, R. | | Deposit date: | 2010-08-17 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structural basis for the broad substrate range of the UDP-sugar pyrophosphorylase from Leishmania major.
J.Mol.Biol., 405, 2011
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2BK5
 | | Human Monoamine Oxidase B: I199F mutant in complex with isatin | | Descriptor: | AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE, ISATIN | | Authors: | Binda, C, Edmondson, D.E, Mattevi, A, Hubalek, F, Khalil, A, Li, M, Castagnoli, N. | | Deposit date: | 2005-02-10 | | Release date: | 2005-02-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Demonstration of Isoleucine 199 as a Structural Determinant for the Selective Inhibition of Human Monoamine Oxidase B by Specific Reversible Inhibitors.
J.Biol.Chem., 280, 2005
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1RXF
 | | DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH FE(II) | | Descriptor: | DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (III) ION | | Authors: | Valegard, K, Terwisscha Van Scheltinga, A.C, Lloyd, M.D, Hara, T, Ramaswamy, S, Perrakis, A, Thompson, A, Lee, H.J, Baldwin, J.E, Schofield, C.J, Hajdu, J, Andersson, I. | | Deposit date: | 1998-06-05 | | Release date: | 1999-06-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of a cephalosporin synthase.
Nature, 394, 1998
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8WX5
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3OH0
 | | Protein structure of USP from L. major bound to URIDINE-5'-TRIPHOSPHATE | | Descriptor: | GLYCEROL, UDP-sugar pyrophosphorylase, URIDINE 5'-TRIPHOSPHATE | | Authors: | Dickmanns, A, Damerow, S, Neumann, P, Schulz, E.-C, Lamerz, A, Routier, F, Ficner, R. | | Deposit date: | 2010-08-17 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural basis for the broad substrate range of the UDP-sugar pyrophosphorylase from Leishmania major.
J.Mol.Biol., 405, 2011
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1S9U
 | | Atomic structure of a putative anaerobic dehydrogenase component | | Descriptor: | DI(HYDROXYETHYL)ETHER, SULFATE ION, putative component of anaerobic dehydrogenases | | Authors: | Qiu, Y, Zhang, R, Tereshko, V, Kim, Y, Collart, F, Joachimiak, A, Kossiakoff, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-02-05 | | Release date: | 2004-06-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | The 1.38 A crystal structure of DmsD protein from Salmonella typhimurium, a proofreading chaperone on the Tat pathway.
Proteins, 71, 2008
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3OH4
 | | Protein structure of USP from L. major bound to URIDINE-5'-DIPHOSPHATE Glucose | | Descriptor: | GLYCEROL, UDP-sugar pyrophosphorylase, URIDINE-5'-DIPHOSPHATE-GLUCOSE | | Authors: | Dickmanns, A, Damerow, S, Neumann, P, Schulz, E.-C, Lamerz, A, Routier, F.H, Ficner, R. | | Deposit date: | 2010-08-17 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structural basis for the broad substrate range of the UDP-sugar pyrophosphorylase from Leishmania major.
J.Mol.Biol., 405, 2011
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1ICT
 | | MONOCLINIC FORM OF HUMAN TRANSTHYRETIN COMPLEXED WITH THYROXINE (T4) | | Descriptor: | 3,5,3',5'-TETRAIODO-L-THYRONINE, TRANSTHYRETIN | | Authors: | Wojtczak, A, Neumann, P, Cody, V. | | Deposit date: | 2001-04-02 | | Release date: | 2002-04-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of a new polymorphic monoclinic form of human transthyretin at 3 A resolution reveals a mixed complex between unliganded and T4-bound tetramers of TTR.
Acta Crystallogr.,Sect.D, 57, 2001
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5M4H
 | | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase | | Descriptor: | Heat shock protein HSP 90-alpha, SULFATE ION, [2,4-bis(oxidanyl)phenyl]-[(7~{S})-7-(trifluoromethyl)-6,7-dihydro-5~{H}-pyrazolo[1,5-a]pyrimidin-4-yl]methanone | | Authors: | Baker, L.M, Brough, P, Surgenor, A. | | Deposit date: | 2016-10-18 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase.
J. Med. Chem., 60, 2017
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3OH1
 | | Protein structure of USP from L. major bound to URIDINE-5'-DIPHOSPHATE-Galacturonic acid | | Descriptor: | (2S,3R,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid, GLYCEROL, UDP-sugar pyrophosphorylase | | Authors: | Dickmanns, A, Damerow, S, Neumann, P, Schulz, E.-C, Lamerz, A, Routier, F, Ficner, R. | | Deposit date: | 2010-08-17 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Structural basis for the broad substrate range of the UDP-sugar pyrophosphorylase from Leishmania major.
J.Mol.Biol., 405, 2011
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5M4M
 | | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase | | Descriptor: | CHLORIDE ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, ... | | Authors: | Baker, L.M, Brough, P, Surgenor, A. | | Deposit date: | 2016-10-18 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase.
J. Med. Chem., 60, 2017
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5LZI
 | | Porcine heat-labile enterotoxin R13H in complex with inhibitor MM146 | | Descriptor: | (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[(2~{R})-3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[(2~{S})-3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Heggelund, J.E, Mackenzie, A, Krengel, U. | | Deposit date: | 2016-09-29 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics.
Sci Rep, 7, 2017
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8RFK
 | | Soluble glucose dehydrogenase from acinetobacter calcoaceticus - single mutant pH8 | | Descriptor: | 3-(3,5-dicarboxy-1~{H}-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid, CALCIUM ION, Quinoprotein glucose dehydrogenase B | | Authors: | Lublin, V, Chavas, L, Stines-Chaumeil, C, Kauffmann, B, Giraud, M.F, Thompson, A. | | Deposit date: | 2023-12-13 | | Release date: | 2024-05-08 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Does Acinetobacter calcoaceticus glucose dehydrogenase produce self-damaging H2O2?
Biosci.Rep., 44, 2024
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1I2M
 | | RAN-RCC1-SO4 COMPLEX | | Descriptor: | GTP-BINDING NUCLEAR PROTEIN RAN, REGULATOR OF CHROMOSOME CONDENSATION 1, SULFATE ION | | Authors: | Renault, L, Kuhlmann, J, Henkel, A, Wittinghofer, A. | | Deposit date: | 2001-02-11 | | Release date: | 2001-05-02 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural basis for guanine nucleotide exchange on Ran by the regulator of chromosome condensation (RCC1).
Cell(Cambridge,Mass.), 105, 2001
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5NDT
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8VL7
 | | Co-crystal structure of human TREX1 in complex with an inhibitor | | Descriptor: | (2P)-2-[3-bromo-2-(2-hydroxyethoxy)phenyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Dehghani-Tafti, S, Dong, A, Li, Y, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L. | | Deposit date: | 2024-01-11 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Co-crystal structure of human TREX1 in complex with an inhibitor
To be published
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1RXG
 | | DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH FE(II) AND 2-OXOGLUTARATE | | Descriptor: | 2-OXOGLUTARIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (III) ION, ... | | Authors: | Valegard, K, Terwisscha Van Scheltinga, A.C, Lloyd, M.D, Hara, T, Ramaswamy, S, Perrakis, A, Thompson, A, Lee, H.J, Baldwin, J.E, Shofield, C.J, Hajdu, J, Andersson, I. | | Deposit date: | 1998-06-05 | | Release date: | 1999-06-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of a cephalosporin synthase.
Nature, 394, 1998
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1RXX
 | | Structure of arginine deiminase | | Descriptor: | Arginine deiminase | | Authors: | Galkin, A, Kulakova, L, Sarikaya, E, Lim, K, Howard, A, Herzberg, O, Structure 2 Function Project (S2F) | | Deposit date: | 2003-12-18 | | Release date: | 2004-01-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural insight into arginine degradation by arginine deiminase, an antibacterial and parasite drug target.
J.Biol.Chem., 279, 2004
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1I47
 | | MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCGAATT(MO4)CGCG): THE WATSON-CRICK TYPE AND WOBBLE N4-METHOXYCYTIDINE/GUANOSINE BASE PAIRS IN B-DNA | | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(C45)P*GP*CP*GP)-3', MAGNESIUM ION | | Authors: | Hossain, M.T, Hikima, T, Chatake, T, Tsunoda, M, Sunami, T, Ueno, Y, Matsuda, A, Takenaka, A. | | Deposit date: | 2001-02-20 | | Release date: | 2003-02-11 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystallographic studies on damaged DNAs: III. N(4)-methoxycytosine can form both Watson-Crick type and wobbled base pairs in a B-form duplex
J.Biochem.(Tokyo), 130, 2001
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3OS6
 | | Crystal structure of putative 2,3-dihydroxybenzoate-specific isochorismate synthase, DhbC from Bacillus anthracis. | | Descriptor: | GLYCEROL, Isochorismate synthase DhbC, POLYETHYLENE GLYCOL (N=34), ... | | Authors: | Domagalski, M.J, Chruszcz, M, Skarina, T, Onopriyenko, O, Cymborowski, M, Savchenko, A, Edwards, A, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-09-08 | | Release date: | 2010-10-20 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of isochorismate synthase DhbC from Bacillus anthracis.
Acta Crystallogr.,Sect.F, 69, 2013
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8VRX
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5NN9
 | | REFINED ATOMIC STRUCTURES OF N9 SUBTYPE INFLUENZA VIRUS NEURAMINIDASE AND ESCAPE MUTANTS | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE N9, ... | | Authors: | Tulip, W.R, Varghese, J.N, Baker, A.T, Vandonkelaar, A, Laver, W.G, Webster, R.G, Colman, P.M. | | Deposit date: | 1991-03-28 | | Release date: | 1992-07-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Refined atomic structures of N9 subtype influenza virus neuraminidase and escape mutants.
J.Mol.Biol., 221, 1991
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8VSY
 | | Bile salt hydrolase from Arthrobacter citreus with covalent inhibitor AAA-10 bound | | Descriptor: | (1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-6-fluoro-5-oxohexan-2-yl]-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-7-yl hydrogen sulfate (non-preferred name), Bile salt hydrolase, CHLORIDE ION, ... | | Authors: | Dhindwal, P, Ruzzini, A. | | Deposit date: | 2024-01-24 | | Release date: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Bile salt hydrolase from Arthrobacter citreus with covalent inhibitor AAA-10 bound
To Be Published
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8VQ4
 | | CDK2-CyclinE1 in complex with allosteric inhibitor I-125A. | | Descriptor: | (8R)-6-(1-benzyl-1H-pyrazole-4-carbonyl)-N-[(2S,3R)-3-(2-cyclohexylethoxy)-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | Authors: | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | | Deposit date: | 2024-01-17 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024
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5NIG
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