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5ZVP
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Aspergillus fumigatus Rho1 F25N
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase Rho1, ...
著者Wei, W.F, Van Aalten, D.M.F.
登録日2018-05-12
公開日2019-05-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Aspergillus fumigateurs Rho1 F25N
To Be Published
4Z4B
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BU of 4z4b by Molmil
2-Pyridyl Hoechst - a New Generation DNA-Binding Radioprotector
分子名称: 5-(4-methylpiperazin-1-yl)-2'-(pyridin-2-yl)-1H,1'H-2,5'-bibenzimidazole, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION
著者Wee, J.-Y, Dobson, R.C.J, White, J.M.
登録日2015-04-01
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9652 Å)
主引用文献2-Pyridyl Hoechst - a New Generation DNA-Binding Radioprotector
To Be Published
5ZUT
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BU of 5zut by Molmil
Crystal Structure of Yeast PCNA in Complex with N24 Peptide
分子名称: N24, Proliferating cell nuclear antigen
著者Cheng, X.Y, Kuang, X.L, Zhou, Y, Xia, X.M, SU, Z.D.
登録日2018-05-08
公開日2018-05-30
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Crystal Structure of Yeast PCNA in Complex with N24 Peptide
To Be Published
5ZW9
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BU of 5zw9 by Molmil
Crystal structure of Pyridoxal kinase (PdxK) from Salmonella typhimurium
分子名称: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DI(HYDROXYETHYL)ETHER, ...
著者Deka, G, Benazir, J.F, Kalyani, J.N, Savithri, H.S, Murthy, M.R.N.
登録日2018-05-14
公開日2019-05-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and functional studies on Salmonella typhimurium pyridoxal kinase: the first structural evidence for the formation of Schiff base with the substrate.
Febs J., 286, 2019
5ZWT
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Crystal structure of the S37A mutant of apo-acyl carrier protein from Leishmania major
分子名称: Acyl carrier protein
著者Sharma, B, Arya, R, Kundu, S, Makde, R.D.
登録日2018-05-16
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A conformational switch from a closed apo- to an open holo-form equips the acyl carrier protein for acyl chain accommodation.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
4Z9M
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BU of 4z9m by Molmil
Crystal structure of human sarcomeric mitochondrial creatine kinase
分子名称: ADENOSINE-5'-DIPHOSPHATE, Creatine kinase S-type, mitochondrial, ...
著者Rabeh, W.M, Tempel, W, Nedyalkova, L, Landry, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2015-04-10
公開日2015-04-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of human sarcomeric mitochondrial creatine kinase
To Be Published
4ZOK
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BU of 4zok by Molmil
Methylsulfonyl-containing inhibitor bound in the substrate capture site of Mycobacterium tuberculosis anthranilate phosphoribosyltransferase (AnPRT; trpD)
分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 4-methyl-2-{[2-methyl-6-(methylsulfonyl)phenyl]amino}benzoic acid, Anthranilate phosphoribosyltransferase, ...
著者Evans, G.L, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
登録日2015-05-06
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Inhibitor bound in the active site of Mycobacterium tuberculosis anthranilate phosphoribosyltransferase (AnPRT; trpD).
To be Published
5ZZB
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LokiProfilin2/Rabbit Actin Complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Robinson, R.C, Akil, C.
登録日2018-05-31
公開日2018-10-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Genomes of Asgard archaea encode profilins that regulate actin.
Nature, 562, 2018
4ZCW
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BU of 4zcw by Molmil
Structure of Human Enolase 2 in complex with SF2312
分子名称: Gamma-enolase, MAGNESIUM ION, [(3S,5S)-1,5-dihydroxy-2-oxopyrrolidin-3-yl]phosphonic acid
著者Leonard, P.G, Maxwell, D, Czako, B, Muller, F.L.
登録日2015-04-16
公開日2016-07-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.992 Å)
主引用文献SF2312 is a natural phosphonate inhibitor of enolase.
Nat.Chem.Biol., 12, 2016
4ZDC
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Yeast enoyl-CoA isomerase complexed with octanoyl-CoA
分子名称: 3,2-trans-enoyl-CoA isomerase, GLYCEROL, OCTANOYL-COENZYME A, ...
著者Onwukwe, G.U, Koski, M.K, Wierenga, R.K.
登録日2015-04-17
公開日2015-11-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structures of yeast peroxisomal Delta (3), Delta (2)-enoyl-CoA isomerase complexed with acyl-CoA substrate analogues: the importance of hydrogen-bond networks for the reactivity of the catalytic base and the oxyanion hole.
Acta Crystallogr.,Sect.D, 71, 2015
4ZE2
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Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140H mutant complexed with itraconazole
分子名称: 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
著者Sagatova, A, Keniya, M.V, Wilson, R, Monk, B.C, Tyndall, J.D.A.
登録日2015-04-20
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase.
Sci Rep, 6, 2016
5ZWS
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BU of 5zws by Molmil
Crystal structure of apo-acyl carrier protein from Leishmania major
分子名称: Acyl carrier protein
著者Arya, R, Sharma, B, Makde, R.D, Kundu, S.
登録日2018-05-16
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A conformational switch from a closed apo- to an open holo-form equips the acyl carrier protein for acyl chain accommodation.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
5ZYJ
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BU of 5zyj by Molmil
Crystal structure of CERT START domain in complex with compound E16A
分子名称: 2-[4-[4-pentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, GLYCEROL, LIPID-TRANSFER PROTEIN CERT
著者Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K.
登録日2018-05-25
公開日2019-02-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
5WSA
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BU of 5wsa by Molmil
Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate and allosteric activator Glucose 6-Phosphate
分子名称: 6-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, OXALATE ION, ...
著者Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C.
登録日2016-12-06
公開日2017-11-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
4Z7G
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BU of 4z7g by Molmil
Crystal structure of human IRE1 cytoplasmic kinase-RNase region - apo
分子名称: SODIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1
著者Bayliss, R, Joshi, A.
登録日2015-04-07
公開日2015-05-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular mechanisms of human IRE1 activation through dimerization and ligand binding.
Oncotarget, 6, 2015
5WPB
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BU of 5wpb by Molmil
Crystal structure of fragment 3-(3-(pyridin-2-ylmethoxy)quinoxalin-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
分子名称: 3-{3-[(pyridin-2-yl)methoxy]quinoxalin-2-yl}propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ...
著者Harding, R.J, Tempel, W, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2017-08-04
公開日2017-08-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin.
J. Med. Chem., 60, 2017
4Z8J
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BU of 4z8j by Molmil
Crystal structure of the SNX27 PDZ domain bound to the C-terminal PTHR PDZ binding motif
分子名称: C-terminal PDZ binding motif from parathyroid hormone receptor (PTHR), Sorting nexin-27
著者Clairfeuille, T, Pavlos, N, Collins, B.M.
登録日2015-04-09
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Role of SNX27-retromer in PTHR trafficking
To Be Published
5WPK
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BU of 5wpk by Molmil
Structure of the class II 3-hydroxy-3-methylglutaryl-CoA reductase from Streptococcus pneumoniae bound to HMG-CoA and in a partially closed conformation
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, 3-hydroxy-3-methylglutaryl coenzyme A reductase, ...
著者Miller, B.R, Kung, Y.
登録日2017-08-04
公開日2018-04-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Features and Domain Movements Controlling Substrate Binding and Cofactor Specificity in Class II HMG-CoA Reductase.
Biochemistry, 57, 2018
4ZCS
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BU of 4zcs by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase in complex with CDP-choline
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Choline-phosphate cytidylyltransferase, [2-CYTIDYLATE-O'-PHOSPHONYLOXYL]-ETHYL-TRIMETHYL-AMMONIUM
著者Guca, E, Hoh, F, Guichou, J.-F, Cerdan, R.
登録日2015-04-16
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural determinants of the catalytic mechanism of Plasmodium CCT, a key enzyme of malaria lipid biosynthesis.
Sci Rep, 8, 2018
4ZNX
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Crystal structure of the Fyn-SH3 domain in complex with the high affinity peptide APP12
分子名称: APP12, Tyrosine-protein kinase Fyn
著者Camara-Artigas, A.
登録日2015-05-05
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The role of water molecules in the binding of class I and II peptides to the SH3 domain of the Fyn tyrosine kinase.
Acta Crystallogr.,Sect.F, 72, 2016
5WUC
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BU of 5wuc by Molmil
Structural basis for conductance through TRIC cation channels
分子名称: SODIUM ION, Uncharacterized protein
著者Su, M, Gao, F, Mao, Y, Li, D.L, Guo, Y.Z, Wang, X.H, Bruni, R, Kloss, B, Hendrickson, W.A, Chen, Y.H, New York Consortium on Membrane Protein Structure (NYCOMPS)
登録日2016-12-17
公開日2017-07-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for conductance through TRIC cation channels.
Nat Commun, 8, 2017
4ZQ0
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BU of 4zq0 by Molmil
crystal structure of Giardia 14-3-3 in complex with the phosphopeptide A8Ap
分子名称: 14-3-3 protein, A8Ap phosphopeptide, PHOSPHATE ION
著者Fiorillo, A, Ilari, A.
登録日2015-05-08
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Molecular Dynamics Simulations and Structural Analysis of Giardia duodenalis 14-3-3 Protein-Protein Interactions.
J.Chem.Inf.Model., 55, 2015
4ZGH
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Structure of Sugar Binding Protein Pneumolysin
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GOLD (I) CYANIDE ION, ...
著者Parker, M.W, Feil, S.C, Morton, C.
登録日2015-04-23
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of Streptococcus pneumoniae pneumolysin provides key insights into early steps of pore formation.
Sci Rep, 5, 2015
4ZHE
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Crystal structure of the SeMet substituted Topless related protein 2 (TPR2) N-terminal domain (1-209) from rice
分子名称: ASPR2 protein
著者Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
登録日2015-04-24
公開日2015-08-05
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for recognition of diverse transcriptional repressors by the TOPLESS family of corepressors.
Sci Adv, 1, 2015
5WV7
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Crystal structure of d(CCGGGGTACCCCGG)2 at 1.4A resolution
分子名称: DNA (5'-D(*CP*CP*GP*GP*GP*GP*TP*AP*CP*CP*CP*CP*GP*G)-3')
著者Karthik, S, Thirugnanasambandam, A, Mandal, P.K, Gautham, N.
登録日2016-12-22
公開日2017-05-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.406 Å)
主引用文献Crystal structure of d(CCGGGGTACCCCGG)2 at 1.4 angstrom resolution.
Acta Crystallogr F Struct Biol Commun, 73, 2017

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