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5B3L
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BU of 5b3l by Molmil
C101S mutant of Flavodoxin from Pseudomonas aeruginosa
分子名称: SULFATE ION, Uncharacterized protein PA3435
著者Okada, D, Nakanishi, T, Kitamura, M.
登録日2016-03-04
公開日2017-03-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献C101S mutant of Flavodoxin from Pseudomonas aeruginosa
To Be Published
6JBW
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BU of 6jbw by Molmil
Structure of Tps1/UDP complex
分子名称: Trehalose-6-phosphate synthase, URIDINE-5'-DIPHOSPHATE
著者Wang, S, Zhao, Y, Wang, D, Liu, J.
登録日2019-01-26
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1.
Biochem.J., 476, 2019
5IWN
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BU of 5iwn by Molmil
Bacterial sodium channel pore domain, high bromide
分子名称: BROMIDE ION, Ion transport protein
著者Shaya, D, Findeisen, F, Rohaim, A, Minor, D.L.
登録日2016-03-22
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.75 Å)
主引用文献Unfolding of a Temperature-Sensitive Domain Controls Voltage-Gated Channel Activation.
Cell, 164, 2016
5IYU
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BU of 5iyu by Molmil
AlgE_CIM
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Alginate production protein AlgE, ...
著者Ma, P, Weichert, D.
登録日2016-03-24
公開日2017-04-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The cubicon method for concentrating membrane proteins in the cubic mesophase.
Nat Protoc, 12, 2017
6A6B
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BU of 6a6b by Molmil
cryo-em structure of alpha-synuclein fiber
分子名称: Alpha-synuclein
著者Li, Y.W, Zhao, C.Y, Luo, F, Liu, Z, Gui, X, Luo, Z, Zhang, X, Li, D, Liu, C, Li, X.
登録日2018-06-27
公開日2018-07-11
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Amyloid fibril structure of alpha-synuclein determined by cryo-electron microscopy
Cell Res., 28, 2018
5J2L
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BU of 5j2l by Molmil
De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity
分子名称: protein design 2L4HC2_11
著者Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G.
登録日2016-03-29
公開日2016-05-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity.
Science, 352, 2016
6JHE
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BU of 6jhe by Molmil
Crystal Structure of Bacillus subtilis SigW domain 4 in complexed with -35 element DNA
分子名称: DNA (5'-D(*AP*AP*AP*GP*GP*TP*TP*TP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*AP*AP*AP*CP*CP*TP*TP*T)-3'), ECF RNA polymerase sigma factor SigW
著者Kwon, E, Devkota, S.R, Pathak, D, Dahal, P, Kim, D.Y.
登録日2019-02-18
公開日2020-01-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.101 Å)
主引用文献Structural analysis of the recognition of the -35 promoter element by SigW from Bacillus subtilis.
Plos One, 14, 2019
5JKW
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BU of 5jkw by Molmil
HUMAN PLACENTAL AROMATASE CYTOCHROME P450 (CYP19A1) COMPLEXED WITH TESTOSTERONE
分子名称: Aromatase, PROTOPORPHYRIN IX CONTAINING FE, TESTOSTERONE
著者Ghosh, D, Egbuta, C, Lo, J.
登録日2016-04-26
公開日2017-04-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Testosterone complex and non-steroidal ligands of human aromatase.
J. Steroid Biochem. Mol. Biol., 2018
5JLV
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BU of 5jlv by Molmil
Receptor binding domain of Botulinum neurotoxin A in complex with human glycosylated SV2C
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Yao, G, Zhang, S, Mahrhold, S, Lam, K, Stern, D, Bagramyan, K, Perry, K, Kalkum, M, Rummel, A, Dong, M, Jin, R.
登録日2016-04-27
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献N-linked glycosylation of SV2 is required for binding and uptake of botulinum neurotoxin A.
Nat.Struct.Mol.Biol., 23, 2016
5BMX
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BU of 5bmx by Molmil
Crystal structure of T75N mutant of Triosephosphate isomerase from Plasmodium falciparum
分子名称: 1,2-ETHANEDIOL, SODIUM ION, SULFATE ION, ...
著者Bandyopadhyay, D, Murthy, M.R.N, Balaram, H, Balaram, P.
登録日2015-05-24
公開日2015-07-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Probing the role of highly conserved residues in triosephosphate isomerase - analysis of site specific mutants at positions 64 and 75 in the Plasmodial enzyme
Febs J., 282, 2015
6JEF
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BU of 6jef by Molmil
Crystal structure of apo-R168C/L169C-Fr
分子名称: CADMIUM ION, CHLORIDE ION, Ferritin light chain, ...
著者Abe, S, Ito, N, Maity, B, Lu, C, Lu, D, Ueno, T.
登録日2019-02-05
公開日2019-12-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Coordination design of cadmium ions at the 4-fold axis channel of the apo-ferritin cage.
Dalton Trans, 48, 2019
5B2D
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BU of 5b2d by Molmil
Crystal structure of Mumps virus hemagglutinin-neuraminidase bound to 3-sialyllactose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HN protein, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, ...
著者Kubota, M, Takeuchi, K, Watanabe, S, Ohno, S, Matsuoka, R, Kohda, D, Hiramatsu, H, Suzuki, Y, Nakayama, T, Terada, T, Shimizu, K, Shimizu, N, Yanagi, Y, Hashiguchi, T.
登録日2016-01-14
公開日2016-09-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.177 Å)
主引用文献Trisaccharide containing alpha 2,3-linked sialic acid is a receptor for mumps virus
Proc.Natl.Acad.Sci.USA, 113, 2016
4MJH
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BU of 4mjh by Molmil
Human Hsp27 core domain in complex with C-terminal peptide
分子名称: Heat shock protein beta-1
著者Laganowsky, A, Cascio, D, Sawaya, M.R, Eisenberg, D.
登録日2013-09-03
公開日2014-04-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.599 Å)
主引用文献The structured core domain of alpha B-crystallin can prevent amyloid fibrillation and associated toxicity.
Proc.Natl.Acad.Sci.USA, 111, 2014
5J8I
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BU of 5j8i by Molmil
Crystal structure of TL11-113 bound to TAK1-TAB1
分子名称: Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
著者Gurbani, D, Westover, K.D.
登録日2016-04-07
公開日2017-02-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.404 Å)
主引用文献Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
6A8C
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BU of 6a8c by Molmil
Ribokinase from Leishmania donovani with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
著者Gatreddi, S, Vasudevan, D, Qureshi, I.A.
登録日2018-07-06
公開日2019-07-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Unraveling structural insights of ribokinase from Leishmania donovani.
Int.J.Biol.Macromol., 136, 2019
5JDB
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BU of 5jdb by Molmil
Binding specificity of P[8] VP8* proteins of rotavirus vaccine strains with histo-blood group antigens
分子名称: Outer capsid protein VP4
著者Sun, X, Guo, N, Li, D, Zhou, Y, Jin, M, Xie, G, Pang, L, Zhang, Q, Cao, Y, Duan, Z.
登録日2016-04-16
公開日2016-07-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Binding specificity of P[8] VP8* proteins of rotavirus vaccine strains with histo-blood group antigens.
Virology, 495, 2016
5BRN
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BU of 5brn by Molmil
Human HGPRT in complex with (S)-HPEPHx, an acyclic nucleoside phosphonate
分子名称: (2-{[(2S)-1-hydroxy-3-(6-oxo-1,6-dihydro-9H-purin-9-yl)propan-2-yl]oxy}ethyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION
著者Keough, D.T, Guddat, L.W, Kaiser, M.M, Hockova, D, Wang, T.-H, Janeba, Z.
登録日2015-05-31
公開日2015-10-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Synthesis and Evaluation of Novel Acyclic Nucleoside Phosphonates as Inhibitors of Plasmodium falciparum and Human 6-Oxopurine Phosphoribosyltransferases.
Chemmedchem, 10, 2015
4CST
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BU of 4cst by Molmil
Crystal structure of FimH in complex with 3'-Chloro-4'-(alpha-D-mannopyranosyloxy)-biphenyl-4-carbonitrile
分子名称: 3'-chloro-4'-(alpha-D-mannopyranosyloxy)biphenyl-4-carbonitrile, PROTEIN FIMH
著者Kleeb, S, Pang, L, Mayer, K, Sigl, A, Eris, D, Preston, R.C, Zihlmann, P, Abgottspon, D, Hutter, A, Scharenberg, M, Jian, X, Navarra, G, Rabbani, S, Smiesko, M, Luedin, N, Jakob, R.P, Schwardt, O, Maier, T, Sharpe, T, Ernst, B.
登録日2014-03-10
公開日2015-02-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Fimh Antagonists: Bioisosteres to Improve the in Vitro and in Vivo Pk/Pd Profile.
J.Med.Chem., 58, 2015
5BSK
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BU of 5bsk by Molmil
Human HGPRT in complex with (S)-HPEPG, an acyclic nucleoside phosphonate
分子名称: (2-{[(2S)-1-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxypropan-2-yl]oxy}ethyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION
著者Keough, D.T, Guddat, L.W, Kaiser, M.M, Hockova, D, Wang, T.-H, Janeba, Z.
登録日2015-06-02
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Synthesis and Evaluation of Novel Acyclic Nucleoside Phosphonates as Inhibitors of Plasmodium falciparum and Human 6-Oxopurine Phosphoribosyltransferases.
Chemmedchem, 10, 2015
6JPR
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BU of 6jpr by Molmil
Crystal structure of Phycocyanin from Nostoc sp. R76DM
分子名称: GLYCEROL, PHYCOCYANOBILIN, Phycocyanin, ...
著者Sonani, R.R, Gupta, G.D, Rastogi, R.P, Patel, S.N, Madamwar, D, Kumar, V.
登録日2019-03-27
公開日2019-06-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Phylogenetic and crystallographic analysis of Nostoc phycocyanin having blue-shifted spectral properties.
Sci Rep, 9, 2019
5BT5
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BU of 5bt5 by Molmil
Crystal structure of BRD2 second bromodomain in complex with SGC-CBP30 chemical probe
分子名称: 1,2-ETHANEDIOL, 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, Bromodomain-containing protein 2
著者Tallant, C, Hay, D, Krojer, T, Nunez-Alonso, G, Picaud, S, Newman, J.A, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-06-02
公開日2015-07-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of BRD2 second bromodomain in complex with a 3,5-dimethylisoxazol ligand
To Be Published
5JFX
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BU of 5jfx by Molmil
Crystal structure of TrkA in complex with PF-06273340
分子名称: High affinity nerve growth factor receptor, N-{5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(5-chloropyridin-2-yl)acetamide
著者Jayasankar, J, Kurumbail, R, Skerratt, S, Brown, D.
登録日2016-04-19
公開日2017-03-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献The Discovery of a Potent, Selective, and Peripherally Restricted Pan-Trk Inhibitor (PF-06273340) for the Treatment of Pain.
J. Med. Chem., 59, 2016
5BOK
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BU of 5bok by Molmil
Ferredoxin component of 3-nitrotoluene dioxygenase from Diaphorobacter sp. strain DS2
分子名称: FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin
著者Ramaswamy, S, Kumari, A, Singh, D, Gurunath, R.
登録日2015-05-27
公開日2016-07-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Ferredoxin component of 3-nitrotoluene dioxygenase from Diaphorobacter sp. strain DS2
To Be Published
5BPN
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BU of 5bpn by Molmil
Crystal structure of nucleotide-free human Hsp70 NBD double mutant E268Q+R272K.
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Heat shock 70 kDa protein 1A, ...
著者Narayanan, D, Engh, R.A.
登録日2015-05-28
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Nucleotide binding to variants of the HSP70-NBD.
To Be Published
5MAU
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BU of 5mau by Molmil
Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 (pH 6.5)
分子名称: Chlorite dismutase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
登録日2016-11-04
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Molecular Mechanism of Enzymatic Chlorite Detoxification: Insights from Structural and Kinetic Studies.
ACS Catal, 7, 2017

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