1SOO
 
 | | ADENYLOSUCCINATE SYNTHETASE INHIBITED BY HYDANTOCIDIN 5'-MONOPHOSPHATE | | Descriptor: | ADENYLOSUCCINATE SYNTHETASE, BETA-MERCAPTOETHANOL, HYDANTOCIDIN-5'-PHOSPHATE, ... | | Authors: | Cowan-Jacob, S.W. | | Deposit date: | 1996-05-07 | | Release date: | 1997-09-04 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The mode of action and the structure of a herbicide in complex with its target: binding of activated hydantocidin to the feedback regulation site of adenylosuccinate synthetase.
Proc.Natl.Acad.Sci.USA, 93, 1996
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8HCC
 | | Crystal structure of mTREX1-RNA product complex (AMP) | | Descriptor: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, SODIUM ION, ... | | Authors: | Hsiao, Y.Y, Huang, K.W, Wu, C.Y. | | Deposit date: | 2022-11-01 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular insight into the specific enzymatic properties of TREX1 revealing the diverse functions in processing RNA and DNA/RNA hybrids.
Nucleic Acids Res., 51, 2023
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4K2N
 | | Crystal structure of an enoyl-CoA hydratase/ carnithine racemase from Magnetospirillum magneticum | | Descriptor: | Enoyl-CoA hydratase/carnithine racemase | | Authors: | Eswaramoorthy, S, Chamala, S, Evans, B, Foti, F, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-04-09 | | Release date: | 2013-04-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of an enoyl-CoA hydratase/ carnithine racemase from Magnetospirillum magneticum
To be Published
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1E8H
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7RYF
 | | A. baumannii Ribosome-TP-6076 complex: P-site tRNA 70S | | Descriptor: | (4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide, 16S Ribosomal RNA, 23S ribosomal RNA, ... | | Authors: | Morgan, C.E, Yu, E.W. | | Deposit date: | 2021-08-25 | | Release date: | 2022-02-02 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.65 Å) | | Cite: | An Analysis of the Novel Fluorocycline TP-6076 Bound to Both the Ribosome and Multidrug Efflux Pump AdeJ from Acinetobacter baumannii.
Mbio, 13, 2022
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6E06
 | | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with cytidine triphosphate solved by precipitant-ligand exchange (crystals grown in citrate precipitant) | | Descriptor: | ATP-dependent dethiobiotin synthetase BioD, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION | | Authors: | Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W. | | Deposit date: | 2018-07-06 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Precipitant-ligand exchange technique reveals the ADP binding mode in Mycobacterium tuberculosis dethiobiotin synthetase.
Acta Crystallogr D Struct Biol, 74, 2018
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4K4D
 | | X-ray crystal structure of E. coli YbdB complexed with 2,4-dihydroxyphenacyl-CoA | | Descriptor: | 2,4-dihydroxyphenacyl coenzyme A, ACETATE ION, MALONATE ION, ... | | Authors: | Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N. | | Deposit date: | 2013-04-12 | | Release date: | 2014-07-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB.
Biochemistry, 53, 2014
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5HUP
 | | Crystal Structure of NadC from Streptococcus pyogenes | | Descriptor: | Nicotinate-nucleotide pyrophosphorylase (Carboxylating), SULFATE ION | | Authors: | Booth, W.T, Chruszcz, M. | | Deposit date: | 2016-01-27 | | Release date: | 2017-01-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.42 Å) | | Cite: | Streptococcus pyogenes quinolinate-salvage pathway-structural and functional studies of quinolinate phosphoribosyl transferase and NH3 -dependent NAD(+) synthetase.
FEBS J., 284, 2017
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1SKN
 | | THE BINDING DOMAIN OF SKN-1 IN COMPLEX WITH DNA: A NEW DNA-BINDING MOTIF | | Descriptor: | DNA (5'-D(*CP*AP*GP*GP*GP*AP*TP*GP*AP*CP*AP*TP*TP*GP*T)-3'), DNA (5'-D(*TP*GP*AP*CP*AP*AP*TP*GP*TP*CP*AP*TP*CP*CP*C)-3'), DNA-BINDING DOMAIN OF SKN-1, ... | | Authors: | Rupert, P.B, Daughdrill, G.W, Bowerman, B, Matthews, B.W. | | Deposit date: | 1998-03-30 | | Release date: | 1998-06-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A new DNA-binding motif in the Skn-1 binding domain-DNA complex.
Nat.Struct.Biol., 5, 1998
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4CXY
 | | Crystal structure of human FTO in complex with acylhydrazine inhibitor 21 | | Descriptor: | (E)-4-(2-Nicotinoylhydrazinyl)-4-oxobut-2-enoic acid, ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE FTO, NICKEL (II) ION | | Authors: | Toh, D.W, Sun, L, Tan, J, Chen, Y, Lau, L.Z.M, Hong, W, Woon, E.C.Y, Gao, Y.G. | | Deposit date: | 2014-04-09 | | Release date: | 2014-10-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | A strategy based on nucleotide specificity leads to a subfamily-selective and cell-active inhibitor ofN6-methyladenosine demethylase FTO.
Chem Sci, 6, 2015
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6IEX
 | | Crystal structure of HLA-B*4001 in complex with SARS-CoV derived peptide N216-225 GETALALLLL | | Descriptor: | Beta-2-microglobulin, GLY-GLU-THR-ALA-LEU-ALA-LEU-LEU-LEU-LEU, MHC class I antigen | | Authors: | Ji, W, Niu, L, Peng, W, Zhang, Y, Shi, Y, Qi, J, Gao, G.F, Liu, W.J. | | Deposit date: | 2018-09-17 | | Release date: | 2019-09-18 | | Last modified: | 2021-03-31 | | Method: | X-RAY DIFFRACTION (2.314 Å) | | Cite: | Salt bridge-forming residues positioned over viral peptides presented by MHC class I impacts T-cell recognition in a binding-dependent manner.
Mol.Immunol., 112, 2019
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7YWX
 | | Structure of the human CCAN CENP-A alpha-satellite complex | | Descriptor: | Centromere protein C, Centromere protein H, Centromere protein I, ... | | Authors: | Yatskevich, S, Muir, K.W, Bellini, D, Zhang, Z, Yang, J, Tischer, T, Predin, M, Dendooven, T, McLaughlin, S.H, Barford, D. | | Deposit date: | 2022-02-14 | | Release date: | 2022-05-18 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (12 Å) | | Cite: | Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome.
Science, 376, 2022
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1SCF
 | | HUMAN RECOMBINANT STEM CELL FACTOR | | Descriptor: | CALCIUM ION, PENTAETHYLENE GLYCOL, STEM CELL FACTOR | | Authors: | Jiang, X, Gurel, O, Langley, K.E, Hendrickson, W.A. | | Deposit date: | 1998-06-04 | | Release date: | 2000-07-07 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the active core of human stem cell factor and analysis of binding to its receptor kit.
EMBO J., 19, 2000
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1F0R
 | | CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR208815 | | Descriptor: | CALCIUM ION, COAGULATION FACTOR XA, THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE | | Authors: | Maignan, S, Guilloteau, J.P, Pouzieux, S, Choi-Sledeski, Y.M, Becker, M.R, Klein, S.I, Ewing, W.R, Pauls, H.W, Spada, A.P, Mikol, V. | | Deposit date: | 2000-05-17 | | Release date: | 2000-09-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of human factor Xa complexed with potent inhibitors.
J.Med.Chem., 43, 2000
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5B25
 | | Crystal structure of human PDE1B with inhibitor 3 | | Descriptor: | (11R,15S)-4-{[4-(6-fluoropyridin-2-yl)phenyl]methyl}-8-methyl-5-(phenylamino)-1,3,4,8,10-pentaazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, GLYCEROL, ... | | Authors: | Ida, K, Lane, W, Snell, G, Sogabe, S. | | Deposit date: | 2016-01-07 | | Release date: | 2016-02-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of Potent and Selective Inhibitors of Phosphodiesterase 1 for the Treatment of Cognitive Impairment Associated with Neurodegenerative and Neuropsychiatric Diseases
J.Med.Chem., 59, 2016
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1SQA
 | | Substituted 2-Naphthamidine Inhibitors of Urokinase | | Descriptor: | 6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-4-(PYRIMIDIN-2-YLAMINO)-2-NAPHTHAMIDE, SULFATE ION, Urokinase-type plasminogen activator | | Authors: | Wendt, M.D, Geyer, A, McClellan, W.J, Rockway, T.W, Weitzberg, M, Zhao, X, Stewart, K, Nienaber, V, Klinghofer, V, Giranda, V.L. | | Deposit date: | 2004-03-18 | | Release date: | 2004-04-27 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Interaction with the S1beta-pocket of urokinase: 8-heterocycle substituted and 6,8-disubstituted 2-naphthamidine urokinase inhibitors.
Bioorg.Med.Chem.Lett., 14, 2004
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1SOI
 | | CRYSTAL STRUCTURE OF NUDIX HYDROLASE DR1025 IN COMPLEX WITH SM+3 | | Descriptor: | MutT/nudix family protein, SAMARIUM (III) ION | | Authors: | Ranatunga, W, Hill, E.E, Mooster, J.L, Holbrook, E.L, Schulze-Gahmen, U, Xu, W, Bessman, M.J, Brenner, S.E, Holbrook, S.R, Berkeley Structural Genomics Center (BSGC) | | Deposit date: | 2004-03-15 | | Release date: | 2004-05-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Studies of the Nudix Hydrolase DR1025 From Deinococcus radiodurans and its Ligand Complexes.
J.Mol.Biol., 339, 2004
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1F0T
 | | BOVINE TRYPSIN COMPLEXED WITH RPR131247 | | Descriptor: | 4-HYDROXY-3-[2-OXO-3-(THIENO[3,2-B]PYRIDINE-2-SULFONYLAMINO)-PYRROLIDIN-1-YLMETHYL]-BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | | Authors: | Maignan, S, Guilloteau, J.P, Pouzieux, S, Choi-Sledeski, Y.M, Becker, M.R, Klein, S.I, Ewing, W.R, Pauls, H.W, Spada, A.P, Mikol, V. | | Deposit date: | 2000-05-17 | | Release date: | 2000-09-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of human factor Xa complexed with potent inhibitors.
J.Med.Chem., 43, 2000
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4CXX
 | | Crystal structure of human FTO in complex with acylhydrazine inhibitor 16 | | Descriptor: | (2E)-4-{N'-[4-(4-tert-Butyl-benzyl)-pyridine-3-carbonyl]-hydrazino}-4-oxo-but-2-enoic acid, ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE FTO, NICKEL (II) ION | | Authors: | Toh, D.W, Sun, L, Tan, J, Chen, Y, Lau, L.Z.M, Hong, W, Woon, E.C.Y, Gao, Y.G. | | Deposit date: | 2014-04-09 | | Release date: | 2014-10-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | A strategy based on nucleotide specificity leads to a subfamily-selective and cell-active inhibitor ofN6-methyladenosine demethylase FTO.
Chem Sci, 6, 2015
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6S0V
 | | The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel, neamine and sulfate | | Descriptor: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, Kanamycin B dioxygenase, NICKEL (II) ION, ... | | Authors: | Mrugala, B, Niedzialkowska, E, Minor, W, Borowski, T. | | Deposit date: | 2019-06-18 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
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4KSY
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1EZQ
 | | CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR128515 | | Descriptor: | 3-[(3'-AMINOMETHYL-BIPHENYL-4-CARBONYL)-AMINO]-2-(3-CARBAMIMIDOYL-BENZYL)-BUTYRIC ACID METHYL ESTER, CALCIUM ION, COAGULATION FACTOR XA | | Authors: | Maignan, S, Guilloteau, J.P, Pouzieux, S, Choi-Sledeski, Y.M, Becker, M.R, Klein, S.I, Ewing, W.R, Pauls, H.W, Spada, A.P, Mikol, V. | | Deposit date: | 2000-05-11 | | Release date: | 2000-09-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of human factor Xa complexed with potent inhibitors.
J.Med.Chem., 43, 2000
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6UCA
 | | Crystal structure of human ZCCHC4 in complex with SAH | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION, rRNA N6-adenosine-methyltransferase ZCCHC4 | | Authors: | Lu, J.W, Ren, W.D, Huang, M.J, Gao, L, Li, D.X, Wang, G.G, Song, J. | | Deposit date: | 2019-09-15 | | Release date: | 2019-10-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.103 Å) | | Cite: | Structure and regulation of ZCCHC4 in m6A-methylation of 28S rRNA.
Nat Commun, 10, 2019
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5I2G
 | | 1,2-propanediol Dehydration in Roseburia inulinivorans; Structural Basis for Substrate and Enantiomer Selectivity | | Descriptor: | Diol dehydratase, S-1,2-PROPANEDIOL | | Authors: | LaMattina, J.W, Reitzer, P, Kapoor, S, Galzerani, F, Koch, D.J, Gouvea, I.E, Lanzilotta, W.N. | | Deposit date: | 2016-02-08 | | Release date: | 2016-06-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.352 Å) | | Cite: | 1,2-Propanediol Dehydration in Roseburia inulinivorans: STRUCTURAL BASIS FOR SUBSTRATE AND ENANTIOMER SELECTIVITY.
J.Biol.Chem., 291, 2016
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1F0J
 | | CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 4B2B | | Descriptor: | ARSENIC, MAGNESIUM ION, PHOSPHODIESTERASE 4B, ... | | Authors: | Xu, R.X, Hassell, A.M, Vanderwall, D, Lambert, M.H, Holmes, W.D, Luther, M.A, Rocque, W.J, Milburn, M.V, Zhao, Y, Ke, H, Nolte, R.T. | | Deposit date: | 2000-05-16 | | Release date: | 2000-07-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Atomic structure of PDE4: insights into phosphodiesterase mechanism and specificity.
Science, 288, 2000
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