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PDB: 1158 件
6PAM
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BU of 6pam by Molmil
Structure of a bacterial Atm1-family ABC transporter with MgADP bound
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATM1-type heavy metal exporter, MAGNESIUM ION
著者Fan, C, Kaiser, J.T, Rees, D.C.
登録日2019-06-11
公開日2020-06-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献A structural framework for unidirectional transport by a bacterial ABC exporter.
Proc.Natl.Acad.Sci.USA, 117, 2020
6P5W
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BU of 6p5w by Molmil
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
分子名称: 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
著者Guy, R.K, Kim, H.S, Hammill, J.T, Scott, D.C, Schulman, B.A.
登録日2019-05-31
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Discovery of Novel Pyrazolo-pyridone DCN1 Inhibitors Controlling Cullin Neddylation.
J.Med.Chem., 62, 2019
5Y6F
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BU of 5y6f by Molmil
Crystal structure of YcgR in complex with c-di-GMP from Escherichia coli
分子名称: 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
著者Hou, Y.J, Wang, D.C, Li, D.F.
登録日2017-08-11
公開日2018-07-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insights into the mechanism of c-di-GMP-bound YcgR regulating flagellar motility inEscherichia coli.
J.Biol.Chem., 295, 2020
3WY7
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BU of 3wy7 by Molmil
Crystal structure of Mycobacterium smegmatis 7-Keto-8-aminopelargonic acid (KAPA) synthase BioF
分子名称: 8-amino-7-oxononanoate synthase
著者Fan, S.H, Li, D.F, Wang, D.C, Chen, G.J, Zhang, X.E, Bi, L.J.
登録日2014-08-20
公開日2014-12-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and function of Mycobacterium smegmatis 7-keto-8-aminopelargonic acid (KAPA) synthase
Int.J.Biochem.Cell Biol., 58C, 2014
3X3N
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BU of 3x3n by Molmil
Crystal structure of EccB1 of Mycobacterium tuberculosis in spacegroup P21
分子名称: CALCIUM ION, ESX-1 secretion system protein EccB1
著者Zhang, X.L, Li, D.F, Zhang, X.E, Bi, L.J, Wang, D.C.
登録日2015-01-24
公開日2015-12-09
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Core component EccB1 of the Mycobacterium tuberculosis type VII secretion system is a periplasmic ATPase.
Faseb J., 29, 2015
4BH5
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BU of 4bh5 by Molmil
LytM domain of EnvC, an activator of cell wall amidases in Escherichia coli
分子名称: CHLORIDE ION, GLYCEROL, IODIDE ION, ...
著者Morlot, C, Peters, N.T, Yang, D.C, Uehara, T, Vernet, T, Bernhardt, T.G.
登録日2013-03-29
公開日2013-07-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献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
4AZF
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BU of 4azf by Molmil
Human DYRK2 in complex with Leucettine L41
分子名称: 1,2-ETHANEDIOL, 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, DYRK2 DUAL-SPECIFICITY TYROSINE-PHOSPHORYLATION REGULATED KINASE 2, ...
著者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.
登録日2012-06-25
公開日2012-09-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献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
5YHV
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BU of 5yhv by Molmil
Crystal structure of an aminotransferase from Mycobacterium tuberculosis
分子名称: 2-OXOGLUTARIC ACID, Aminotransferase, GLUTAMIC ACID, ...
著者Saroj, D.C, Biswal, B.K.
登録日2017-09-30
公開日2018-10-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of an aminotransferase from Mycobacterium tuberculosis
To Be Published
4B8N
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BU of 4b8n by Molmil
Cytochrome b5 of Ostreococcus tauri virus 2
分子名称: CYTOCHROME B5-HOST ORIGIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者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.
登録日2012-08-28
公開日2013-09-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Functional and Structural Characterisation of a Viral Cytochrome B5.
FEBS Lett., 587, 2013
5YZ2
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BU of 5yz2 by Molmil
the cystathionine-beta-synthase (CBS) domain of magnesium and cobalt efflux protein CorC in complex with both C2'- and C3'-endo AMP
分子名称: ADENOSINE MONOPHOSPHATE, Magnesium and cobalt efflux protein CorC
著者Feng, N, Qi, C, Li, D.F, Wang, D.C.
登録日2017-12-12
公開日2018-05-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The C2'- and C3'-endo equilibrium for AMP molecules bound in the cystathionine-beta-synthase domain.
Biochem. Biophys. Res. Commun., 497, 2018
407D
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BU of 407d by Molmil
STRUCTURAL BASIS FOR RECOGNITION OF A-T AND T-A BASE PAIRS IN THE MINOR GROOVE OF B-DNA
分子名称: 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
著者Rees, D.C.
登録日1998-06-24
公開日1998-10-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A structural basis for recognition of A.T and T.A base pairs in the minor groove of B-DNA.
Science, 282, 1998
4B2S
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BU of 4b2s by Molmil
Solution structure of CCP modules 11-12 of complement factor H
分子名称: COMPLEMENT FACTOR H
著者Makou, E, Mertens, H.D, Maciejewski, M, Soares, D.C, Matis, I, Schmidt, C.Q, Herbert, A.P, Svergun, D.I, Barlow, P.N.
登録日2012-07-17
公開日2012-10-17
最終更新日2013-05-08
実験手法SOLUTION NMR
主引用文献Solution Structure of Ccp Modules 10-12 Illuminates Functional Architecture of the Complement Regulator, Factor H.
J.Mol.Biol., 424, 2012
3ZS7
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BU of 3zs7 by Molmil
Crystal structure of pyridoxal kinase from Trypanosoma brucei
分子名称: ADENOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, PYRIDOXAL KINASE
著者Alphey, M.S, Jones, D.C, Fairlamb, A.H.
登録日2011-06-23
公開日2012-06-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Chemical, Genetic and Structural Assessment of Pyridoxal Kinase as a Drug Target in the African Trypanosome.
Mol.Microbiol., 86, 2012
5Z2L
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BU of 5z2l by Molmil
Crystal structure of BdcA in complex with NADPH
分子名称: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, Cyclic-di-GMP-binding biofilm dispersal mediator protein, ...
著者Yang, W.S, Hou, Y.J, Li, D.F, Wang, D.C.
登録日2018-01-03
公開日2018-03-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A potential substrate binding pocket of BdcA plays a critical role in NADPH recognition and biofilm dispersal
Biochem. Biophys. Res. Commun., 497, 2018
408D
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BU of 408d by Molmil
STRUCTURAL BASIS FOR RECOGNITION OF A-T AND T-A BASE PAIRS IN THE MINOR GROOVE OF B-DNA
分子名称: DNA (5'-D(*CP*CP*AP*GP*TP*AP*CP*TP*GP*G)-3'), IMIDAZOLE-PYRROLE POLYAMIDE
著者Kielkopf, C.L, White, S, Szewczyk, J.W, Turner, J.M, Baird, E.E, Dervan, P.B, Rees, D.C.
登録日1998-06-24
公開日1998-10-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A structural basis for recognition of A.T and T.A base pairs in the minor groove of B-DNA.
Science, 282, 1998
454D
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BU of 454d by Molmil
INTERCALATION AND MAJOR GROOVE RECOGNITION IN THE 1.2 A RESOLUTION CRYSTAL STRUCTURE OF RH[ME2TRIEN]PHI BOUND TO 5'-G(5IU)TGCAAC-3'
分子名称: 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
著者Kielkopf, C.L, Erkkila, K.E, Hudson, B.P, Barton, J.K, Rees, D.C.
登録日1999-03-03
公開日2000-02-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure of a photoactive rhodium complex intercalated into DNA.
Nat.Struct.Biol., 7, 2000
6AWL
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BU of 6awl by Molmil
Crystal structure of human Coq9
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Ubiquinone biosynthesis protein COQ9, ...
著者Bingman, C.A, Lohman, D.C, Smith, R.W, Pagliarini, D.J, Mitochondrial Protein Partnership (MPP)
登録日2017-09-05
公開日2019-02-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An Isoprene Lipid-Binding Protein Promotes Eukaryotic Coenzyme Q Biosynthesis.
Mol. Cell, 73, 2019
4B2R
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BU of 4b2r by Molmil
Solution structure of CCP modules 10-11 of complement factor H
分子名称: COMPLEMENT FACTOR H
著者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.
登録日2012-07-17
公開日2012-10-10
最終更新日2019-09-25
実験手法SOLUTION NMR
主引用文献Solution Structure of Ccp Modules 10-12 Illuminates Functional Architecture of the Complement Regulator, Factor H.
J.Mol.Biol., 424, 2012
6BG5
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BU of 6bg5 by Molmil
Structure of 1-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1-propylpiperidin-4-yl)-3-(3-(trifluoromethyl)phenyl)urea bound to DCN1
分子名称: Endolysin, DCN1-like protein 1 chimera, N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(1-propylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]urea
著者Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T.
登録日2017-10-27
公開日2018-09-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation.
J. Med. Chem., 61, 2018
4CMV
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BU of 4cmv by Molmil
Crystal structure of Rv3378c
分子名称: CITRIC ACID, DITERPENE SYNTHASE, MERCURY (II) ION
著者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.
登録日2014-01-18
公開日2014-02-19
最終更新日2014-03-12
実験手法X-RAY DIFFRACTION (2.307 Å)
主引用文献Molecular Profiling of Mycobacterium Tuberculosis Identifies Tuberculosinyl Nucleoside Products of the Virulence-Associated Enzyme Rv3378C.
Proc.Natl.Acad.Sci.USA, 111, 2014
5Y6G
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BU of 5y6g by Molmil
PilZ domain with c-di-GMP of YcgR from Escherichia coli
分子名称: 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
著者Hou, Y.J, Wang, D.C, Li, D.F.
登録日2017-08-11
公開日2018-07-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insights into the mechanism of c-di-GMP-bound YcgR regulating flagellar motility inEscherichia coli.
J.Biol.Chem., 295, 2020
5Y6H
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BU of 5y6h by Molmil
Crystal structure of YcgR-N domain of YcgR from Escherichia coli
分子名称: Flagellar brake protein YcgR
著者Hou, Y.J, Yang, W.S, Wang, D.C, Li, D.F.
登録日2017-08-11
公開日2018-07-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.774 Å)
主引用文献Structural insights into the mechanism of c-di-GMP-bound YcgR regulating flagellar motility inEscherichia coli.
J.Biol.Chem., 295, 2020
4AZE
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BU of 4aze by Molmil
Human DYRK1A in complex with Leucettine L41
分子名称: 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION-REGULATED KINASE 1A
著者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.
登録日2012-06-25
公開日2012-09-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献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
4D2W
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BU of 4d2w by Molmil
Structure of MELK in complex with inhibitors
分子名称: 4-bromo-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE
著者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.
登録日2014-05-13
公開日2014-10-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
4D2V
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BU of 4d2v by Molmil
Structure of MELK in complex with inhibitors
分子名称: 7-{[2-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1H-3-benzazepinium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE
著者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.
登録日2014-05-13
公開日2014-10-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015

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