6PAM
 
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6P5W
 | | Structure of DCN1 bound to 3-methyl-N-((4S,5S)-3-methyl-6-oxo-1-phenyl-4-(p-tolyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide | | Descriptor: | 3-methyl-N-[(4S,5S)-3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]benzamide, Lysozyme,DCN1-like protein 1 chimera | | Authors: | Guy, R.K, Kim, H.S, Hammill, J.T, Scott, D.C, Schulman, B.A. | | Deposit date: | 2019-05-31 | | Release date: | 2019-09-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Discovery of Novel Pyrazolo-pyridone DCN1 Inhibitors Controlling Cullin Neddylation.
J.Med.Chem., 62, 2019
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5Y6F
 | | Crystal structure of YcgR in complex with c-di-GMP from Escherichia coli | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Flagellar brake protein YcgR, SULFATE ION | | Authors: | Hou, Y.J, Wang, D.C, Li, D.F. | | Deposit date: | 2017-08-11 | | Release date: | 2018-07-18 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural insights into the mechanism of c-di-GMP-bound YcgR regulating flagellar motility inEscherichia coli.
J.Biol.Chem., 295, 2020
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3WY7
 | | Crystal structure of Mycobacterium smegmatis 7-Keto-8-aminopelargonic acid (KAPA) synthase BioF | | Descriptor: | 8-amino-7-oxononanoate synthase | | Authors: | Fan, S.H, Li, D.F, Wang, D.C, Chen, G.J, Zhang, X.E, Bi, L.J. | | Deposit date: | 2014-08-20 | | Release date: | 2014-12-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and function of Mycobacterium smegmatis 7-keto-8-aminopelargonic acid (KAPA) synthase
Int.J.Biochem.Cell Biol., 58C, 2014
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3X3N
 | | Crystal structure of EccB1 of Mycobacterium tuberculosis in spacegroup P21 | | Descriptor: | CALCIUM ION, ESX-1 secretion system protein EccB1 | | Authors: | Zhang, X.L, Li, D.F, Zhang, X.E, Bi, L.J, Wang, D.C. | | Deposit date: | 2015-01-24 | | Release date: | 2015-12-09 | | Last modified: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Core component EccB1 of the Mycobacterium tuberculosis type VII secretion system is a periplasmic ATPase.
Faseb J., 29, 2015
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4BH5
 | | LytM domain of EnvC, an activator of cell wall amidases in Escherichia coli | | Descriptor: | CHLORIDE ION, GLYCEROL, IODIDE ION, ... | | Authors: | Morlot, C, Peters, N.T, Yang, D.C, Uehara, T, Vernet, T, Bernhardt, T.G. | | Deposit date: | 2013-03-29 | | Release date: | 2013-07-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Structure-Function Analysis of the Lytm Domain of Envc, an Activator of Cell Wall Remodeling at the Escherichia Coli Division Site.
Mol.Microbiol., 89, 2013
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4AZF
 | | Human DYRK2 in complex with Leucettine L41 | | Descriptor: | 1,2-ETHANEDIOL, 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, DYRK2 DUAL-SPECIFICITY TYROSINE-PHOSPHORYLATION REGULATED KINASE 2, ... | | Authors: | Elkins, J.M, Soundararajan, M, Muniz, J.R.C, Tahtouh, T, Burgy, G, Durieu, E, Lozach, O, Cochet, C, Schmid, R.S, Lo, D.C, Delhommel, F, Carreaux, F, Bazureau, J.P, Meijer, L, Edwards, A, Bountra, C, Knapp, S. | | Deposit date: | 2012-06-25 | | Release date: | 2012-09-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Selectivity, Co-Crystal Structures and Neuroprotective Properties of Leucettines, a Family of Protein Kinase Inhibitors Derived from the Marine Sponge Alkaloid Leucettamine B.
J.Med.Chem., 55, 2012
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5YHV
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4B8N
 | | Cytochrome b5 of Ostreococcus tauri virus 2 | | Descriptor: | CYTOCHROME B5-HOST ORIGIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Isupov, M, Reid, E.L, Weynberg, K.D, Love, J, Wilson, W.H, Kelly, S.L, Lamb, D.C, Allen, M.J, Littlechild, J.A. | | Deposit date: | 2012-08-28 | | Release date: | 2013-09-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Functional and Structural Characterisation of a Viral Cytochrome B5.
FEBS Lett., 587, 2013
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5YZ2
 | | the cystathionine-beta-synthase (CBS) domain of magnesium and cobalt efflux protein CorC in complex with both C2'- and C3'-endo AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, Magnesium and cobalt efflux protein CorC | | Authors: | Feng, N, Qi, C, Li, D.F, Wang, D.C. | | Deposit date: | 2017-12-12 | | Release date: | 2018-05-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The C2'- and C3'-endo equilibrium for AMP molecules bound in the cystathionine-beta-synthase domain.
Biochem. Biophys. Res. Commun., 497, 2018
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407D
 | | STRUCTURAL BASIS FOR RECOGNITION OF A-T AND T-A BASE PAIRS IN THE MINOR GROOVE OF B-DNA | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (5'-D(*CP*CP*AP*GP*TP*AP*CP*TP*GP*G)-3'), ~{N}-[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-4-oxidanyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide | | Authors: | Rees, D.C. | | Deposit date: | 1998-06-24 | | Release date: | 1998-10-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A structural basis for recognition of A.T and T.A base pairs in the minor groove of B-DNA.
Science, 282, 1998
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4B2S
 | | Solution structure of CCP modules 11-12 of complement factor H | | Descriptor: | COMPLEMENT FACTOR H | | Authors: | Makou, E, Mertens, H.D, Maciejewski, M, Soares, D.C, Matis, I, Schmidt, C.Q, Herbert, A.P, Svergun, D.I, Barlow, P.N. | | Deposit date: | 2012-07-17 | | Release date: | 2012-10-17 | | Last modified: | 2013-05-08 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of Ccp Modules 10-12 Illuminates Functional Architecture of the Complement Regulator, Factor H.
J.Mol.Biol., 424, 2012
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3ZS7
 | | Crystal structure of pyridoxal kinase from Trypanosoma brucei | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, PYRIDOXAL KINASE | | Authors: | Alphey, M.S, Jones, D.C, Fairlamb, A.H. | | Deposit date: | 2011-06-23 | | Release date: | 2012-06-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Chemical, Genetic and Structural Assessment of Pyridoxal Kinase as a Drug Target in the African Trypanosome.
Mol.Microbiol., 86, 2012
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5Z2L
 | | Crystal structure of BdcA in complex with NADPH | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, Cyclic-di-GMP-binding biofilm dispersal mediator protein, ... | | Authors: | Yang, W.S, Hou, Y.J, Li, D.F, Wang, D.C. | | Deposit date: | 2018-01-03 | | Release date: | 2018-03-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A potential substrate binding pocket of BdcA plays a critical role in NADPH recognition and biofilm dispersal
Biochem. Biophys. Res. Commun., 497, 2018
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408D
 | | STRUCTURAL BASIS FOR RECOGNITION OF A-T AND T-A BASE PAIRS IN THE MINOR GROOVE OF B-DNA | | Descriptor: | DNA (5'-D(*CP*CP*AP*GP*TP*AP*CP*TP*GP*G)-3'), IMIDAZOLE-PYRROLE POLYAMIDE | | Authors: | Kielkopf, C.L, White, S, Szewczyk, J.W, Turner, J.M, Baird, E.E, Dervan, P.B, Rees, D.C. | | Deposit date: | 1998-06-24 | | Release date: | 1998-10-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A structural basis for recognition of A.T and T.A base pairs in the minor groove of B-DNA.
Science, 282, 1998
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454D
 | | INTERCALATION AND MAJOR GROOVE RECOGNITION IN THE 1.2 A RESOLUTION CRYSTAL STRUCTURE OF RH[ME2TRIEN]PHI BOUND TO 5'-G(5IU)TGCAAC-3' | | Descriptor: | 5'-D(*GP*(5IU)P*TP*GP*CP*AP*AP*C)-3', DELTA-ALPHA-RH[2R,9R-DIAMINO-4,7-DIAZADECANE]9,10-PHENANTHRENEQUINONE DIIMINE | | Authors: | Kielkopf, C.L, Erkkila, K.E, Hudson, B.P, Barton, J.K, Rees, D.C. | | Deposit date: | 1999-03-03 | | Release date: | 2000-02-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure of a photoactive rhodium complex intercalated into DNA.
Nat.Struct.Biol., 7, 2000
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6AWL
 | | Crystal structure of human Coq9 | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Ubiquinone biosynthesis protein COQ9, ... | | Authors: | Bingman, C.A, Lohman, D.C, Smith, R.W, Pagliarini, D.J, Mitochondrial Protein Partnership (MPP) | | Deposit date: | 2017-09-05 | | Release date: | 2019-02-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An Isoprene Lipid-Binding Protein Promotes Eukaryotic Coenzyme Q Biosynthesis.
Mol. Cell, 73, 2019
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4B2R
 | | Solution structure of CCP modules 10-11 of complement factor H | | Descriptor: | COMPLEMENT FACTOR H | | Authors: | Makou, E, Mertens, H.D.T, Maciejewski, M, Soares, D.C, Matis, I, Schmidt, C.Q, Herbert, A.P, Svergun, D.I, Barlow, P.N. | | Deposit date: | 2012-07-17 | | Release date: | 2012-10-10 | | Last modified: | 2019-09-25 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of Ccp Modules 10-12 Illuminates Functional Architecture of the Complement Regulator, Factor H.
J.Mol.Biol., 424, 2012
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6BG5
 | | Structure of 1-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1-propylpiperidin-4-yl)-3-(3-(trifluoromethyl)phenyl)urea bound to DCN1 | | Descriptor: | Endolysin, DCN1-like protein 1 chimera, N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(1-propylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]urea | | Authors: | Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T. | | Deposit date: | 2017-10-27 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation.
J. Med. Chem., 61, 2018
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4CMV
 | | Crystal structure of Rv3378c | | Descriptor: | CITRIC ACID, DITERPENE SYNTHASE, MERCURY (II) ION | | Authors: | Layre, E, Lee, H.J, Young, D.C, Martinot, A.J, Buter, J, Minnaard, A.J, Annand, J.W, Fortune, S.M, Snider, B.B, Matsunaga, I, Rubin, E.J, Alber, T, Moody, D.B. | | Deposit date: | 2014-01-18 | | Release date: | 2014-02-19 | | Last modified: | 2014-03-12 | | Method: | X-RAY DIFFRACTION (2.307 Å) | | Cite: | Molecular Profiling of Mycobacterium Tuberculosis Identifies Tuberculosinyl Nucleoside Products of the Virulence-Associated Enzyme Rv3378C.
Proc.Natl.Acad.Sci.USA, 111, 2014
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5Y6G
 | | PilZ domain with c-di-GMP of YcgR from Escherichia coli | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Flagellar brake protein YcgR, SULFATE ION | | Authors: | Hou, Y.J, Wang, D.C, Li, D.F. | | Deposit date: | 2017-08-11 | | Release date: | 2018-07-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural insights into the mechanism of c-di-GMP-bound YcgR regulating flagellar motility inEscherichia coli.
J.Biol.Chem., 295, 2020
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5Y6H
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4AZE
 | | Human DYRK1A in complex with Leucettine L41 | | Descriptor: | 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION-REGULATED KINASE 1A | | Authors: | Elkins, J.M, Soundararajan, M, Muniz, J.R.C, Tahtouh, T, Burgy, G, Durieu, E, Lozach, O, Cochet, C, Schmid, R.S, Lo, D.C, Delhommel, F, Carreaux, F, Bazureau, J.P, Meijer, L, Edwards, A, Bountra, C, Knapp, S. | | Deposit date: | 2012-06-25 | | Release date: | 2012-09-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Selectivity, Co-Crystal Structures and Neuroprotective Properties of Leucettines, a Family of Protein Kinase Inhibitors Derived from the Marine Sponge Alkaloid Leucettamine B.
J.Med.Chem., 55, 2012
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4D2W
 | | Structure of MELK in complex with inhibitors | | Descriptor: | 4-bromo-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | | Deposit date: | 2014-05-13 | | Release date: | 2014-10-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
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4D2V
 | | Structure of MELK in complex with inhibitors | | Descriptor: | 7-{[2-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1H-3-benzazepinium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | | Deposit date: | 2014-05-13 | | Release date: | 2014-10-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
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