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4YD6
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BU of 4yd6 by Molmil
Endothiapepsin in complex with fragment 240
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Stieler, M, Heine, A, Klebe, G.
登録日2015-02-21
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.298 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
2Q8U
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BU of 2q8u by Molmil
CRYSTAL STRUCTURE OF MRE11 FROM THERMOTOGA MARITIMA MSB8 (TM1635) AT 2.20 A RESOLUTION
分子名称: Exonuclease, putative
著者Joint Center for Structural Genomics (JCSG)
登録日2007-06-11
公開日2007-06-26
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the first eubacterial Mre11 nuclease reveals novel features that may discriminate substrates during DNA repair.
J.Mol.Biol., 397, 2010
6BGX
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BU of 6bgx by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)((4,4-difluorocyclohexyl)methoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound N42)
分子名称: 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[(4,4-difluorocyclohexyl)methoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.882 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
2Q7T
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BU of 2q7t by Molmil
Crystal Structure of the F plasmid TraI Relaxase Domain with the Scissile Thymidine Base
分子名称: MAGNESIUM ION, Protein traI, THYMIDINE-5'-PHOSPHATE
著者Lujan, S.A, Redinbo, M.R.
登録日2007-06-07
公開日2008-05-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Disrupting antibiotic resistance propagation by inhibiting the conjugative DNA relaxase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
5THR
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BU of 5thr by Molmil
Cryo-EM structure of a BG505 Env-sCD4-17b-8ANC195 complex
分子名称: 17b Fab VH domain, 17b Fab VL domain, 8ANC195 G52K5 VH domain, ...
著者Wang, H, Bjorkman, P.J.
登録日2016-09-30
公開日2016-11-16
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (8.9 Å)
主引用文献Cryo-EM structure of a CD4-bound open HIV-1 envelope trimer reveals structural rearrangements of the gp120 V1V2 loop.
Proc.Natl.Acad.Sci.USA, 113, 2016
6BH8
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BU of 6bh8 by Molmil
Crystal structure of ZMPSTE24 in complex with phosphoramidon
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CAAX prenyl protease 1 homolog, N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-L-LEUCYL-L-TRYPTOPHAN, ...
著者Goblirsch, B.R, Arachea, B.T, Wiener, M.C.
登録日2017-10-30
公開日2018-08-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.85 Å)
主引用文献Phosphoramidon inhibits the integral membrane protein zinc metalloprotease ZMPSTE24.
Acta Crystallogr D Struct Biol, 74, 2018
5T73
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BU of 5t73 by Molmil
Crystal structure of S.aureus glyceraldehyde-3-phosphate-dehydrogenase (Gap) containing oxidized Cys151
分子名称: Glyceraldehyde-3-phosphate dehydrogenase 1, SODIUM ION
著者Pietrzyk-Brzezinska, A.J, Wahl, M.C.
登録日2016-09-02
公開日2016-12-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.599 Å)
主引用文献Protein S-Bacillithiolation Functions in Thiol Protection and Redox Regulation of the Glyceraldehyde-3-Phosphate Dehydrogenase Gap in Staphylococcus aureus Under Hypochlorite Stress.
Antioxid. Redox Signal., 28, 2018
5T7M
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BU of 5t7m by Molmil
LIGAND BINDING DOMAIN OF PSEUDOMONAS AERUGINOSA PAO1 AMINO ACID CHEMORECEPTOR PCTA IN COMPLEX WITH L-TRP
分子名称: ACETATE ION, Chemotaxis protein, SODIUM ION, ...
著者Gavira, J.A, Rico-Jimenez, M, Ortega, A, Conejero-Muriel, M, Zhulin, I, Krell, T.
登録日2016-09-05
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献How Bacterial Chemoreceptors Evolve Novel Ligand Specificities
Mbio, 2020
6BQL
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BU of 6bql by Molmil
Crystal Structure of the Human CAMKK2B in complex with TAE-226
分子名称: 1,2-ETHANEDIOL, 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE, ACETATE ION, ...
著者Counago, R.M, de Souza, G.P, dos Reis, C.V, Ramos, P.Z, Drewry, D, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC)
登録日2017-11-28
公開日2017-12-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the Human CAMKK2B in complex with TAE-226
To Be Published
4Y3T
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BU of 4y3t by Molmil
Endothiapepsin in complex with fragment 207
分子名称: (3R)-piperidin-3-yl(piperidin-1-yl)methanone, (3S)-piperidin-3-yl(piperidin-1-yl)methanone, ACETATE ION, ...
著者Ehrmann, F.R, Huschmann, F.U, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Crystallographic Fragment Sreening of an Entire Library
To Be Published
4Y48
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BU of 4y48 by Molmil
Endothiapepsin in complex with fragment B50
分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U.
登録日2015-02-10
公開日2016-02-17
最終更新日2016-05-11
実験手法X-RAY DIFFRACTION (1.249 Å)
主引用文献Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
5TCV
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BU of 5tcv by Molmil
ACC oxidase complex with substrate 1-aminocyclopropane-1-carboxylic acid
分子名称: 1-AMINOCYCLOPROPANECARBOXYLIC ACID, 1-aminocyclopropane-1-carboxylate oxidase 1, NICKEL (II) ION
著者Gunawardana, D.M, Yosaatmadja, Y, Leung, I.K, Squire, C.J.
登録日2016-09-15
公開日2017-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献ACC oxidase complex with substrate 1-aminocyclopropane-1-carboxylic acid
To Be Published
4Y5A
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BU of 4y5a by Molmil
Endothiapepsin in complex with fragment 206
分子名称: 1,2-ETHANEDIOL, 1-[5-(trifluoromethyl)furan-2-yl]methanamine, ACETATE ION, ...
著者Ehrmann, F.R, Huschmann, F.U, Heine, A, Klebe, G.
登録日2015-02-11
公開日2016-03-02
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystallographic Fragment Sreening of an Entire Library
To Be Published
4Y5L
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BU of 4y5l by Molmil
Endothiapepsin in its apo form
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2015-02-11
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y5Z
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BU of 4y5z by Molmil
T=1 capsid structure of SeMV Ndel65CP fused with B-domain of S. aureus protein SpA at the N-terminus (P1 crystal form)
分子名称: Immunoglobulin G-binding protein A,Coat protein, SULFATE ION
著者Gulati, A, Murthy, M.R.N.
登録日2015-02-12
公開日2016-01-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural studies on chimeric Sesbania mosaic virus coat protein: Revisiting SeMV assembly.
Virology, 489, 2015
2Q9G
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BU of 2q9g by Molmil
Crystal structure of human cytochrome P450 46A1
分子名称: Cytochrome P450 46A1, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
著者White, M.A, Mast, N.V, Johnson, E.F, Stout, C.D, Pikuleva, I.A.
登録日2007-06-12
公開日2008-06-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of substrate-bound and substrate-free cytochrome P450 46A1, the principal cholesterol hydroxylase in the brain.
Proc.Natl.Acad.Sci.Usa, 105, 2008
6C07
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BU of 6c07 by Molmil
Crystal Structure of S-Adenosylmethionine synthetase (MetK/Mat) from Cryptosporidium parvum
分子名称: CHLORIDE ION, MAGNESIUM ION, POTASSIUM ION, ...
著者Ohren, J.F, Viola, R.E.
登録日2017-12-28
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of a critical metabolic enzyme: S-adenosylmethionine synthetase from Cryptosporidium parvum.
Acta Crystallogr F Struct Biol Commun, 75, 2019
6AM0
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BU of 6am0 by Molmil
Crystal structure of K. lactis Edc1-Dcp1-Dcp2-Edc3 decapping complex with synthetic cap substrate analog
分子名称: KLLA0A01474p, KLLA0A11308p, KLLA0E01827p, ...
著者Mugridge, J.S, Gross, J.D.
登録日2017-08-08
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Structure of the activated Edc1-Dcp1-Dcp2-Edc3 mRNA decapping complex with substrate analog poised for catalysis.
Nat Commun, 9, 2018
4Y7F
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BU of 4y7f by Molmil
Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate-glucose (UDP-Glc) and 3-(phosphonooxy)propanoic acid (PPA) - GpgS Mn2+ UDP-Glc PPA
分子名称: 1,2-ETHANEDIOL, 3-(phosphonooxy)propanoic acid, Glucosyl-3-phosphoglycerate synthase, ...
著者Albesa-Jove, D, Rodrigo-Unzueta, A, Cifuente, J.O, Urresti, S, Comino, N, Sancho-Vaello, E, Guerin, M.E.
登録日2015-02-14
公開日2015-07-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.231 Å)
主引用文献A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase.
Angew.Chem.Int.Ed.Engl., 54, 2015
6AHF
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BU of 6ahf by Molmil
CryoEM Reconstruction of Hsp104 N728A Hexamer
分子名称: Heat shock protein 104, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
著者Zhang, X, Zhang, L, Zhang, S.
登録日2018-08-17
公開日2019-02-13
最終更新日2019-04-10
実験手法ELECTRON MICROSCOPY (6.78 Å)
主引用文献Heat shock protein 104 (HSP104) chaperones soluble Tau via a mechanism distinct from its disaggregase activity.
J. Biol. Chem., 294, 2019
4Y7G
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BU of 4y7g by Molmil
Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate-glucose (UDP-Glc) and glycerol 3-phosphate (G3P) - GpgS Mn2+ UDP-Glc G3P
分子名称: Glucosyl-3-phosphoglycerate synthase, MANGANESE (II) ION, SN-GLYCEROL-3-PHOSPHATE, ...
著者Albesa-Jove, D, Rodrigo-Unzueta, A, Cifuente, J.O, Urresti, S, Comino, N, Sancho-Vaello, E, Guerin, M.E.
登録日2015-02-14
公開日2015-07-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase.
Angew.Chem.Int.Ed.Engl., 54, 2015
2Q99
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BU of 2q99 by Molmil
Crystal Structure of Saccharopine Dehydrogenase from Saccharomyces cerevisiae
分子名称: Saccharopine dehydrogenase [NAD+, L-lysine-forming
著者Berghuis, A.M, Burk, D.L.
登録日2007-06-12
公開日2007-11-06
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural Studies of the Final Enzyme in the alpha-Aminoadipate Pathway-Saccharopine Dehydrogenase from Saccharomyces cerevisiae
J.Mol.Biol., 373, 2007
4Y7L
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BU of 4y7l by Molmil
T6SS protein TssM C-terminal domain (869-1107) from EAEC
分子名称: GLYCEROL, Type VI secretion protein IcmF, ZINC ION
著者Nguyen, V.S, Spinelli, S, Durand, E, Roussel, A, Cambillau, C.
登録日2015-02-15
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Biogenesis and structure of a type VI secretion membrane core complex.
Nature, 523, 2015
5VYP
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BU of 5vyp by Molmil
Crystal structure of the Plant Defensin NsD7 bound to PIP2
分子名称: Defensin NsD7, GLYCEROL, SULFATE ION, ...
著者Jarva, M, Lay, F.T, Hulett, M, Kvansakul, M.
登録日2017-05-25
公開日2017-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of the defensin NsD7 in complex with PIP2 reveals that defensin : lipid oligomer topologies are dependent on lipid type.
FEBS Lett., 591, 2017
5VZC
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BU of 5vzc by Molmil
Post-catalytic complex of human Polymerase Mu (G433S) mutant with incoming dTTP
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*GP*GP*CP*AP*TP*AP*CP*G)-3'), ...
著者Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C.
登録日2017-05-27
公開日2017-07-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.552 Å)
主引用文献Structural accommodation of ribonucleotide incorporation by the DNA repair enzyme polymerase Mu.
Nucleic Acids Res., 45, 2017

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