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6YMJ
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Crystal structure of the SAM-SAH riboswitch with adenosine.
分子名称: 5-BROMOCYTIDINE 5'-(DIHYDROGEN PHOSPHATE), ADENOSINE, Chains: A,C,F,I,M,O, ...
著者Huang, L, Lilley, D.M.J.
登録日2020-04-08
公開日2020-07-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Crystal structure and ligand-induced folding of the SAM/SAH riboswitch.
Nucleic Acids Res., 48, 2020
5ACK
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BU of 5ack by Molmil
Human PDK1 Kinase Domain in Complex with Allosteric Compound 7 Bound to the PIF-Pocket
分子名称: 1-(4-CHLOROPHENETHYL)-2-(2-CHLOROPHENYL)-6-OXOPIPERIDINE-3-CARBOXYLIC ACID, 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Schulze, J.O, Kroon, E, Doemling, A, Biondi, R.M.
登録日2015-08-17
公開日2015-10-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Discovery of a Potent Allosteric Kinase Modulator by Combining Computational and Synthetic Methods.
Angew.Chem.Int.Ed.Engl., 54, 2015
5AB3
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BU of 5ab3 by Molmil
S.enterica HisA mutant D7N, D10G, dup13-15, Q24L, G102A
分子名称: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, SODIUM ION, [(2R,3S,4R,5R)-5-[4-AMINOCARBONYL-5-[[(Z)-[(3R,4R)-3,4-DIHYDROXY-2-OXO-5-PHOSPHONOOXY-PENTYL]IMINOMETHYL]AMINO]IMIDAZOL-1-YL]-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL DIHYDROGEN PHOSPHATE
著者Guo, X, Soderholm, A, Newton, M, Nasvall, J, Andersson, D, Patrick, W, Selmer, M.
登録日2015-07-31
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6EXM
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BU of 6exm by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK202)
分子名称: ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION, ...
著者Grundstrom, C, Begum, A, Hall, M, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E.
登録日2017-11-08
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
5AFI
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BU of 5afi by Molmil
2.9A Structure of E. coli ribosome-EF-TU complex by cs-corrected cryo-EM
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Fischer, N, Neumann, P, Konevega, A.L, Bock, L.V, Ficner, R, Rodnina, M.V, Stark, H.
登録日2015-01-22
公開日2015-03-11
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure of the E. coli ribosome-EF-Tu complex at <3 angstrom resolution by Cs-corrected cryo-EM.
Nature, 520, 2015
6XFJ
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BU of 6xfj by Molmil
Crystal structure of the type III secretion pilotin InvH
分子名称: CADMIUM ION, CHLORIDE ION, SODIUM ION, ...
著者Majewski, D.D, Okon, M, Heinkel, F, Robb, C.S, Vuckovic, M, McIntosh, L.P, Strynadka, N.C.J.
登録日2020-06-15
公開日2020-09-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Characterization of the Pilotin-Secretin Complex from the Salmonella enterica Type III Secretion System Using Hybrid Structural Methods.
Structure, 29, 2021
6EXL
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The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK206) - folded HTH motif
分子名称: ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION, ...
著者Hall, M, Grundstrom, C, Begum, A, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E.
登録日2017-11-08
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
5TPP
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BU of 5tpp by Molmil
Crystal Structure of DH270.5 (unliganded) from the DH270 Broadly Neutralizing N332-glycan Dependent Lineage
分子名称: CITRIC ACID, DH270.5 Fab heavy chain, DH270.5 Fab light chain, ...
著者Fera, D, Harrison, S.C.
登録日2016-10-20
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Staged induction of HIV-1 glycan-dependent broadly neutralizing antibodies.
Sci Transl Med, 9, 2017
5TSZ
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BU of 5tsz by Molmil
Crystal structure of Plasmodium vivax CelTOS
分子名称: Pv cell-traversal protein, SODIUM ION
著者Tolia, N.H, Jimah, J.R.
登録日2016-10-31
公開日2016-12-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.002 Å)
主引用文献Malaria parasite CelTOS targets the inner leaflet of cell membranes for pore-dependent disruption.
Elife, 5, 2016
3IMM
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BU of 3imm by Molmil
Crystal structure of Putative glycosyl hydrolase (YP_001301887.1) from Parabacteroides distasonis ATCC 8503 at 2.00 A resolution
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Putative secreted glycosylhydrolase, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2009-08-10
公開日2009-08-18
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Putative glycosyl hydrolase (YP_001301887.1) from Parabacteroides distasonis ATCC 8503 at 2.00 A resolution
To be published
5U17
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BU of 5u17 by Molmil
Structure of human MR1-DA-6-FP in complex with human MAIT A-F7 TCR
分子名称: 2,4-diaminopteridine-6-carbaldehyde, ACETATE ION, Beta-2-microglobulin, ...
著者Keller, A.N, Rossjohn, J.
登録日2016-11-28
公開日2017-02-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017
5U4U
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BU of 5u4u by Molmil
pseudoGTPase domain (pG1) of p190RhoGAP-A
分子名称: MALONATE ION, MGC81300 protein, SODIUM ION
著者Stiegler, A.L, Boggon, T.J.
登録日2016-12-06
公開日2017-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献p190RhoGAP proteins contain pseudoGTPase domains.
Nat Commun, 8, 2017
6EXI
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BU of 6exi by Molmil
NAD-free crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii complexed with adenosine
分子名称: ADENOSINE, Adenosylhomocysteinase, DI(HYDROXYETHYL)ETHER, ...
著者Manszewski, T, Jaskolski, M.
登録日2017-11-08
公開日2018-09-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.918 Å)
主引用文献S-Adenosyl-L-Homocysteine Hydrolase Inhibition by a Synthetic Nicotinamide Cofactor Biomimetic.
Front Microbiol, 9, 2018
3WG7
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BU of 3wg7 by Molmil
A 1.9 angstrom radiation damage free X-ray structure of large (420KDa) protein by femtosecond crystallography
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Hirata, K, Shinzawa-Itoh, K, Yano, N, Takemura, S, Kato, K, Hatanaka, M, Muramoto, K, Kawahara, T, Tsukihara, T, Yamashita, E, Tono, K, Ueno, G, Hikima, T, Murakami, H, Inubushi, Y, Yabashi, M, Ishikawa, T, Yamamoto, M, Ogura, T, Sugimoto, H, Shen, J.R, Yoshikawa, S, Ago, H.
登録日2013-07-29
公開日2014-04-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Determination of damage-free crystal structure of an X-ray-sensitive protein using an XFEL.
Nat.Methods, 11, 2014
5SV5
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BU of 5sv5 by Molmil
1.0 Angstrom Crystal Structure of pre-Peptidase C-terminal Domain of Collagenase from Bacillus anthracis.
分子名称: Microbial collagenase, SODIUM ION
著者Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Shatsman, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-08-04
公開日2016-08-17
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献1.0 Angstrom Crystal Structure of pre-Peptidase C-terminal Domain of Collagenase from Bacillus anthracis.
To Be Published
5C3Z
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BU of 5c3z by Molmil
Crystal structure of human ribokinase in complex with AMPPCP in C2 spacegroup
分子名称: CHLORIDE ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Ribokinase, ...
著者Park, J, Chakrabarti, J, Singh, B, Gupta, R.S, Junop, M.S.
登録日2015-06-17
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of human ribokinase in complex with AMPPCP in C2 spacegroup
To Be Published
3ISB
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BU of 3isb by Molmil
Binary complex of human DNA polymerase beta with a gapped DNA
分子名称: 5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
著者Beard, W.A, Shock, D.D, Batra, V.K, Pedersen, L.C, Wilson, S.H.
登録日2009-08-25
公開日2009-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献DNA polymerase beta substrate specificity: side chain modulation of the "A-rule".
J.Biol.Chem., 284, 2009
6FBY
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BU of 6fby by Molmil
Crystal structure of C-terminal modified Tau peptide-hybrid 4.2b with 14-3-3sigma
分子名称: (2~{R})-2-[(~{S})-(3-methylphenyl)-phenyl-methyl]pyrrolidine, 14-3-3 protein sigma, ACE-ARG-THR-PRO-SEP-LEU-PRO-GLY, ...
著者Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G.
登録日2017-12-20
公開日2018-05-16
最終更新日2019-02-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes.
ACS Chem Neurosci, 9, 2018
6FI5
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BU of 6fi5 by Molmil
Crystal structure of C-terminal modified Tau peptide-hybrid 3.2d with 14-3-3sigma
分子名称: (2~{S})-2-(diphenylmethyl)pyrrolidine, 14-3-3 protein sigma, CHLORIDE ION, ...
著者Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G.
登録日2018-01-17
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes.
ACS Chem Neurosci, 9, 2018
5T2T
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BU of 5t2t by Molmil
Crystal structure of Lymphocytic choriomeningitis mammarenavirus endonuclease bound to compound L742001
分子名称: (2Z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid, CHLORIDE ION, GLYCEROL, ...
著者Saez-Ayala, M, Yekwa, E.L, Canard, B, Alvarez, K, Ferron, F.
登録日2016-08-24
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.967 Å)
主引用文献Crystal structures ofLymphocytic choriomeningitis virusendonuclease domain complexed with diketo-acid ligands.
IUCrJ, 5, 2018
6F92
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Structure of the family GH92 alpha-mannosidase BT3965 from Bacteroides thetaiotaomicron in complex with Mannoimidazole (ManI)
分子名称: (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Thompson, A.J, Spears, R.J, Zhu, Y, Suits, M.D.L, Williams, S.J, Gilbert, H.J, Davies, G.J.
登録日2017-12-13
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Bacteroides thetaiotaomicron generates diverse alpha-mannosidase activities through subtle evolution of a distal substrate-binding motif.
Acta Crystallogr D Struct Biol, 74, 2018
6FBW
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BU of 6fbw by Molmil
Crystal structure of C-terminal modified Tau peptide-hybrid 4.2f-II with 14-3-3sigma
分子名称: (2~{R})-2-[(~{S})-(3-methoxyphenyl)-phenyl-methyl]pyrrolidine, 14-3-3 protein sigma, ARG-THR-PRO-SEP-LEU-PRO-GLY, ...
著者Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G.
登録日2017-12-20
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes.
ACS Chem Neurosci, 9, 2018
3K4G
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BU of 3k4g by Molmil
Crystal structure of E. coli RNA polymerase alpha subunit C-terminal domain
分子名称: DNA-directed RNA polymerase subunit alpha, SODIUM ION
著者Lara-Gonzalez, S, Birktoft, J, Lawson, C.L.
登録日2009-10-05
公開日2010-07-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure of the Escherichia coli RNA polymerase alpha subunit C-terminal domain.
Acta Crystallogr.,Sect.D, 66, 2010
6WU6
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BU of 6wu6 by Molmil
succinate-coenzyme Q reductase
分子名称: FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Lyu, M, Su, C.-C, Morgan, C.E, Yu, E.W.
登録日2020-05-04
公開日2021-02-03
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins.
Nat.Methods, 18, 2021
6YRO
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BU of 6yro by Molmil
Streptococcus suis SadP mutant - N285D
分子名称: GLYCEROL, SODIUM ION, SadP
著者Papageorgiou, A.C, Haataja, S.
登録日2020-04-20
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The binding mechanism of the virulence factor Streptococcus suis adhesin P subtype to globotetraosylceramide is associated with systemic disease.
J.Biol.Chem., 295, 2020

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