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4Z3N
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BU of 4z3n by Molmil
Crystal structure of the MATE transporter ClbM
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CACODYLATE ION, Putative drug/sodium antiporter
Authors:Mousa, J.J, Bruner, S.D.
Deposit date:2015-03-31
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:MATE transport of the E. coli-derived genotoxin colibactin.
Nat Microbiol, 1, 2016
4Z4B
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BU of 4z4b by Molmil
2-Pyridyl Hoechst - a New Generation DNA-Binding Radioprotector
Descriptor: 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
Authors:Wee, J.-Y, Dobson, R.C.J, White, J.M.
Deposit date:2015-04-01
Release date:2016-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9652 Å)
Cite: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
Descriptor: N24, Proliferating cell nuclear antigen
Authors:Cheng, X.Y, Kuang, X.L, Zhou, Y, Xia, X.M, SU, Z.D.
Deposit date:2018-05-08
Release date:2018-05-30
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.82 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Deka, G, Benazir, J.F, Kalyani, J.N, Savithri, H.S, Murthy, M.R.N.
Deposit date:2018-05-14
Release date:2019-05-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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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BU of 5zwt by Molmil
Crystal structure of the S37A mutant of apo-acyl carrier protein from Leishmania major
Descriptor: Acyl carrier protein
Authors:Sharma, B, Arya, R, Kundu, S, Makde, R.D.
Deposit date:2018-05-16
Release date:2019-01-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Creatine kinase S-type, mitochondrial, ...
Authors: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)
Deposit date:2015-04-10
Release date:2015-04-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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)
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 4-methyl-2-{[2-methyl-6-(methylsulfonyl)phenyl]amino}benzoic acid, Anthranilate phosphoribosyltransferase, ...
Authors:Evans, G.L, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-05-06
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Inhibitor bound in the active site of Mycobacterium tuberculosis anthranilate phosphoribosyltransferase (AnPRT; trpD).
To be Published
5ZZB
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BU of 5zzb by Molmil
LokiProfilin2/Rabbit Actin Complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Robinson, R.C, Akil, C.
Deposit date:2018-05-31
Release date:2018-10-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: Gamma-enolase, MAGNESIUM ION, [(3S,5S)-1,5-dihydroxy-2-oxopyrrolidin-3-yl]phosphonic acid
Authors:Leonard, P.G, Maxwell, D, Czako, B, Muller, F.L.
Deposit date:2015-04-16
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:SF2312 is a natural phosphonate inhibitor of enolase.
Nat.Chem.Biol., 12, 2016
4ZDC
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BU of 4zdc by Molmil
Yeast enoyl-CoA isomerase complexed with octanoyl-CoA
Descriptor: 3,2-trans-enoyl-CoA isomerase, GLYCEROL, OCTANOYL-COENZYME A, ...
Authors:Onwukwe, G.U, Koski, M.K, Wierenga, R.K.
Deposit date:2015-04-17
Release date:2015-11-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.13 Å)
Cite: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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BU of 4ze2 by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140H mutant complexed with itraconazole
Descriptor: 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
Authors:Sagatova, A, Keniya, M.V, Wilson, R, Monk, B.C, Tyndall, J.D.A.
Deposit date:2015-04-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: Acyl carrier protein
Authors:Arya, R, Sharma, B, Makde, R.D, Kundu, S.
Deposit date:2018-05-16
Release date:2019-01-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 2-[4-[4-pentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, GLYCEROL, LIPID-TRANSFER PROTEIN CERT
Authors:Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K.
Deposit date:2018-05-25
Release date:2019-02-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, OXALATE ION, ...
Authors:Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C.
Deposit date:2016-12-06
Release date:2017-11-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.85 Å)
Cite: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
Descriptor: SODIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Bayliss, R, Joshi, A.
Deposit date:2015-04-07
Release date:2015-05-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: 3-{3-[(pyridin-2-yl)methoxy]quinoxalin-2-yl}propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ...
Authors: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)
Deposit date:2017-08-04
Release date:2017-08-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor: C-terminal PDZ binding motif from parathyroid hormone receptor (PTHR), Sorting nexin-27
Authors:Clairfeuille, T, Pavlos, N, Collins, B.M.
Deposit date:2015-04-09
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.95 Å)
Cite: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
Descriptor: 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, ...
Authors:Miller, B.R, Kung, Y.
Deposit date:2017-08-04
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Choline-phosphate cytidylyltransferase, [2-CYTIDYLATE-O'-PHOSPHONYLOXYL]-ETHYL-TRIMETHYL-AMMONIUM
Authors:Guca, E, Hoh, F, Guichou, J.-F, Cerdan, R.
Deposit date:2015-04-16
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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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BU of 4znx by Molmil
Crystal structure of the Fyn-SH3 domain in complex with the high affinity peptide APP12
Descriptor: APP12, Tyrosine-protein kinase Fyn
Authors:Camara-Artigas, A.
Deposit date:2015-05-05
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: SODIUM ION, Uncharacterized protein
Authors: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)
Deposit date:2016-12-17
Release date:2017-07-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: 14-3-3 protein, A8Ap phosphopeptide, PHOSPHATE ION
Authors:Fiorillo, A, Ilari, A.
Deposit date:2015-05-08
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite: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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BU of 4zgh by Molmil
Structure of Sugar Binding Protein Pneumolysin
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GOLD (I) CYANIDE ION, ...
Authors:Parker, M.W, Feil, S.C, Morton, C.
Deposit date:2015-04-23
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of Streptococcus pneumoniae pneumolysin provides key insights into early steps of pore formation.
Sci Rep, 5, 2015
4ZHE
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BU of 4zhe by Molmil
Crystal structure of the SeMet substituted Topless related protein 2 (TPR2) N-terminal domain (1-209) from rice
Descriptor: ASPR2 protein
Authors:Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
Deposit date:2015-04-24
Release date:2015-08-05
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for recognition of diverse transcriptional repressors by the TOPLESS family of corepressors.
Sci Adv, 1, 2015
5WV7
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BU of 5wv7 by Molmil
Crystal structure of d(CCGGGGTACCCCGG)2 at 1.4A resolution
Descriptor: DNA (5'-D(*CP*CP*GP*GP*GP*GP*TP*AP*CP*CP*CP*CP*GP*G)-3')
Authors:Karthik, S, Thirugnanasambandam, A, Mandal, P.K, Gautham, N.
Deposit date:2016-12-22
Release date:2017-05-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.406 Å)
Cite:Crystal structure of d(CCGGGGTACCCCGG)2 at 1.4 angstrom resolution.
Acta Crystallogr F Struct Biol Commun, 73, 2017

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数据于2024-07-17公开中

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