7FCP
 
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3LAE
 | | The crystal structure of a functionally unknown conserved protein from Haemophilus influenzae Rd KW20 | | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, UPF0053 protein HI0107, ... | | Authors: | Tan, K, Li, H, Bargassa, M, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-01-06 | | Release date: | 2010-01-19 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.453 Å) | | Cite: | The crystal structure of a functionally unknown conserved protein from Haemophilus influenzae Rd KW20
To be Published
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1MT1
 | | The Crystal Structure of Pyruvoyl-dependent Arginine Decarboxylase from Methanococcus jannaschii | | Descriptor: | AGMATINE, PYRUVOYL-DEPENDENT ARGININE DECARBOXYLASE ALPHA CHAIN, PYRUVOYL-DEPENDENT ARGININE DECARBOXYLASE BETA CHAIN | | Authors: | Tolbert, W.D, Graham, D.E, White, R.H, Ealick, S.E. | | Deposit date: | 2002-09-20 | | Release date: | 2003-03-25 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Pyruvoyl-Dependent Arginine Decarboxylase from Methanococcus jannaschii:
Crystal Structures of the Self-Cleaved and S53A Proenzyme Forms
Structure, 11, 2003
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7BQ2
 | | X-ray structure of human PPARalpha ligand binding domain-pemafibrate-SRC1 coactivator peptide co-crystals obtained by soaking | | Descriptor: | (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid, 15-meric peptide from Nuclear receptor coactivator 1, GLYCEROL, ... | | Authors: | Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. | | Deposit date: | 2020-03-23 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
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4IWV
 | | Crystals structure of Human Glucokinase in complex with small molecule activator | | Descriptor: | (2S)-2-{[1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-chloropyridin-2-yl)-3-(2-hydroxyethoxy)propanamide, Glucokinase isoform 3, SODIUM ION, ... | | Authors: | Ogg, D.J, Hargreaves, D, Gerhardt, S, Flavell, L, McAlister, M. | | Deposit date: | 2013-01-24 | | Release date: | 2013-04-24 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Optimising pharmacokinetics of glucokinase activators with matched triplicate design sets the discovery of AZD3651 and AZD9485
To be Published
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4F1K
 | | Crystal structure of the MG2+ free VWA domain of plasmodium falciparum trap protein | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ... | | Authors: | Pihlajamaa, T, Knuuti, J, Kajander, T, Sharma, A, Permi, P. | | Deposit date: | 2012-05-07 | | Release date: | 2013-01-30 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structure of Plasmodium falciparum TRAP (thrombospondin-related anonymous protein) A domain highlights distinct features in apicomplexan von Willebrand factor A homologues.
Biochem.J., 450, 2013
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3H5E
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9CT9
 | | Tricomplex of Compound 3, KRAS G12D, and CypA | | Descriptor: | (2R)-2-{(5S)-7-[(2R)-2-aminopropanoyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl}-2-cyclopentyl-N-[(1M,8S,10S,14R,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]acetamide (non-preferred name), CHLORIDE ION, Isoform 2B of GTPase KRas, ... | | Authors: | Zhang, D, Bar Ziv, T, Knox, J.E, Yano, J.K. | | Deposit date: | 2024-07-24 | | Release date: | 2025-07-23 | | Last modified: | 2025-08-06 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | A neomorphic protein interface catalyzes covalent inhibition of RAS G12D aspartic acid in tumors.
Science, 389, 2025
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5CA0
 | | Crystal structure of T2R-TTL-Lexibulin complex | | Descriptor: | 1-ethyl-3-[2-methoxy-4-(5-methyl-4-{[(1S)-1-(pyridin-3-yl)butyl]amino}pyrimidin-2-yl)phenyl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wang, Y, Yu, Y, Chen, Q, Yang, J. | | Deposit date: | 2015-06-29 | | Release date: | 2015-11-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Structures of a diverse set of colchicine binding site inhibitors in complex with tubulin provide a rationale for drug discovery.
Febs J., 283, 2016
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1MRK
 | | STUDIES ON CRYSTAL STRUCTURES ACTIVE CENTER GEOMETRY AND DEPURINE MECHANISM OF TWO RIBOSOME-INACTIVATING PROTEINS | | Descriptor: | (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, ALPHA-TRICHOSANTHIN | | Authors: | Huang, Q, Liu, S, Tang, Y, Jin, S, Wang, Y. | | Deposit date: | 1994-07-01 | | Release date: | 1995-02-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Studies on crystal structures, active-centre geometry and depurinating mechanism of two ribosome-inactivating proteins.
Biochem.J., 309, 1995
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3H68
 | | Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c)with two Zn2+ atoms originally soaked with cantharidin (which is present in the structure in the hydrolyzed form) | | Descriptor: | (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, Serine/threonine-protein phosphatase 5, ZINC ION | | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | | Deposit date: | 2009-04-23 | | Release date: | 2009-09-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin
J.Med.Chem., 52, 2009
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3UDX
 | | Crystal structure of Acinetobacter baumannii PBP1a in complex with Imipenem | | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Penicillin-binding protein 1a | | Authors: | Han, S. | | Deposit date: | 2011-10-28 | | Release date: | 2011-12-14 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Distinctive attributes of beta-lactam target proteins in Acinetobacter baumannii relevant to development of new antibiotics
J.Am.Chem.Soc., 133, 2011
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5SO3
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4F8E
 | | Crystal structure of human PRS1 D52H mutant | | Descriptor: | MAGNESIUM ION, Ribose-phosphate pyrophosphokinase 1, SULFATE ION | | Authors: | Chen, P, Teng, M, Li, X. | | Deposit date: | 2012-05-17 | | Release date: | 2013-05-22 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | A small disturbance, but a serious disease: the possible mechanism of D52H-mutant of human PRS1 that causes gout
Iubmb Life, 65, 2013
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6DYY
 | | Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-(((3-(1-butyl-1H-1,2,3-triazol-4-yl)propyl)thio)methyl)pyrrolidin-3-ol | | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-butyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ... | | Authors: | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | Deposit date: | 2018-07-02 | | Release date: | 2019-03-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.
J. Med. Chem., 62, 2019
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6TMA
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3HCN
 | | Hg and protoporphyrin bound Human Ferrochelatase | | Descriptor: | BICARBONATE ION, CHOLIC ACID, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Medlock, A.E, Dailey, H.A, Lanzilotta, W.N. | | Deposit date: | 2009-05-06 | | Release date: | 2009-11-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Product release rather than chelation determines metal specificity for ferrochelatase.
J.Mol.Biol., 393, 2009
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4GD5
 | | X-ray Crystal Structure of a Putative Phosphate ABC Transporter Substrate-Binding Protein with Bound Phosphate from Clostridium perfringens | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Brunzelle, J.S, Wawrzak, Z, Onopriyenko, O, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-07-31 | | Release date: | 2012-08-15 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | X-ray Crystal Structure of a Putative Phosphate ABC Transporter Substrate-Binding Protein with Bound Phosphate from Clostridium perfringens
To be Published
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3PN3
 | | Crystal structure of Arabidopsis thaliana petide deformylase 1B (AtPDF1B) in complex with inhibitor 21 | | Descriptor: | Peptide deformylase 1B, chloroplastic, ZINC ION, ... | | Authors: | Fieulaine, S, Meinnel, T, Giglione, C. | | Deposit date: | 2010-11-18 | | Release date: | 2011-06-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Trapping conformational States along ligand-binding dynamics of Peptide deformylase: the impact of induced fit on enzyme catalysis.
Plos Biol., 9, 2011
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3E6Q
 | | Putative 5-carboxymethyl-2-hydroxymuconate isomerase from Pseudomonas aeruginosa. | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, FORMIC ACID, ... | | Authors: | Osipiuk, J, Xu, X, Cui, H, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-08-15 | | Release date: | 2008-08-26 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | X-ray crystal structure of putative 5-carboxymethyl-2-hydroxymuconate isomerase from Pseudomonas aeruginosa.
To be Published
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6DYW
 | | Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-(((3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl)thio)methyl)pyrrolidin-3-ol | | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ... | | Authors: | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | Deposit date: | 2018-07-02 | | Release date: | 2019-03-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.
J. Med. Chem., 62, 2019
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6TCK
 | | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with ULD-2 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, ... | | Authors: | Welin, M, Kimbung, R, Focht, D. | | Deposit date: | 2019-11-06 | | Release date: | 2020-09-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Rational design of balanced dual-targeting antibiotics with limited resistance.
Plos Biol., 18, 2020
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2OO1
 | | Crystal structure of the Bromo domain 2 of human Bromodomain containing protein 3 (BRD3) | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Bromodomain-containing protein 3, ... | | Authors: | Filippakopoulos, P, Bullock, A, Papagrigoriou, E, Keates, T, Cooper, C, Smee, C, Ugochukwu, E, Debreczeni, J, von Delft, F, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-01-25 | | Release date: | 2007-02-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
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4GFC
 | | N-terminal coiled-coil dimer of C.elegans SAS-6, crystal form B | | Descriptor: | 1,2-ETHANEDIOL, IMIDAZOLE, Spindle assembly abnormal protein 6, ... | | Authors: | Erat, M.C, Vakonakis, I. | | Deposit date: | 2012-08-03 | | Release date: | 2013-06-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Caenorhabditis elegans centriolar protein SAS-6 forms a spiral that is consistent with imparting a ninefold symmetry.
Proc.Natl.Acad.Sci.USA, 110, 2013
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6DYZ
 | | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-((prop-2-yn-1-ylthio)methyl)pyrrolidin-3-ol | | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(prop-2-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | Deposit date: | 2018-07-02 | | Release date: | 2019-03-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.
J. Med. Chem., 62, 2019
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