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7EOA
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BU of 7eoa by Molmil
HR-PETase from Bacterium HR29
分子名称: ETHANOL, Poly(Ethylene terephthalate) hydrolase
著者Wang, J, Wang, Y.H.
登録日2021-04-21
公開日2022-04-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Crystal structure of Bomgl, a monoacylglycerol lipase from marine Bacillus
To Be Published
5H9O
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BU of 5h9o by Molmil
Complex of Murine endoplasmic reticulum alpha-glucosidase II with D-Glucose
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N.
登録日2015-12-29
公開日2016-07-27
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
5DF5
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BU of 5df5 by Molmil
The structure of oxidized rat cytochrome c (T28E) at 1.30 angstroms resolution.
分子名称: Cytochrome c, somatic, HEME C, ...
著者Edwards, B.F.P, Mahapatra, G, Vaishnav, A.A, Brunzelle, J.S, Huttemann, M.
登録日2015-08-26
公開日2016-09-14
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.301 Å)
主引用文献The structure of oxidized rat cytochrome c (T28E) at 1.30 angstroms resolution.
To Be Published
5HJH
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BU of 5hjh by Molmil
Dps4 from Nostoc punctiforme in complex with Fe ions
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FE (III) ION, Ferritin, ...
著者Howe, C, Moparthi, V.K, Persson, K, Stensjo, K.
登録日2016-01-13
公開日2017-01-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Dps4 from Nostoc punctiforme in complex with Fe ions
To Be Published
5D5M
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BU of 5d5m by Molmil
Structure of human MR1-5-OP-RU in complex with human MAIT M33.64 TCR
分子名称: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, ACETATE ION, Beta-2-microglobulin, ...
著者Keller, A.N, Birkinshaw, R.W, Rossjohn, J.
登録日2015-08-11
公開日2016-01-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Diversity of T Cells Restricted by the MHC Class I-Related Molecule MR1 Facilitates Differential Antigen Recognition.
Immunity, 44, 2016
7EJI
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BU of 7eji by Molmil
Crystal structure of KRED F147L/L153Q/Y190P/L199A/M205F/M206F variant and methyl methacrylate complex
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-oxidanylisoindole-1,3-dione, ...
著者Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J.
登録日2021-04-02
公開日2022-05-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.560016 Å)
主引用文献Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022
5H6G
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BU of 5h6g by Molmil
Crystal structure of a thermostable lipase from Marine Streptomyces
分子名称: CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ...
著者Hou, S, Zhao, Z, Liu, J.
登録日2016-11-11
公開日2017-09-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Crystal structure of a lipase from Streptomyces sp. strain W007 - implications for thermostability and regiospecificity
FEBS J., 284, 2017
5D8C
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BU of 5d8c by Molmil
Crystal structure of HiNmlR, a MerR family regulator lacking the sensor domain, bound to promoter DNA
分子名称: DNA (5'-D(*CP*TP*TP*AP*GP*AP*GP*TP*GP*AP*AP*CP*TP*CP*TP*AP*AP*G)-3'), DNA (5'-D(*CP*TP*TP*AP*GP*AP*GP*TP*TP*CP*AP*CP*TP*CP*TP*AP*AP*G)-3'), MerR family regulator protein
著者Counago, R.M, Chang, C.W, Chen, N.H, Djoko, K.Y, McEwan, A.G, Kobe, B.
登録日2015-08-17
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis of thiol-based regulation of formaldehyde detoxification in H. influenzae by a MerR regulator with no sensor region.
Nucleic Acids Res., 44, 2016
7EDS
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BU of 7eds by Molmil
Human p53 core domain with germline hot spot mutation M133T in complex with the natural PIG3 p53-response element and Arsenic
分子名称: ARSENIC, Cellular tumor antigen p53, PIG3 anti-sense strand, ...
著者Xing, Y.F, Lu, M.
登録日2021-03-17
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Arsenic-bound p53 Hotspot mutant M133T in complex with the natural PIG3 p53-response element
To Be Published
5HCC
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BU of 5hcc by Molmil
Ternary complex of human Complement C5 with Ornithodoros moubata OmCI and Dermacentor andersoni RaCI3.
分子名称: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Jore, M.M, Johnson, S, Lea, S.M.
登録日2016-01-04
公開日2016-03-30
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structural basis for therapeutic inhibition of complement C5.
Nat.Struct.Mol.Biol., 23, 2016
5DG6
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BU of 5dg6 by Molmil
2.35A resolution structure of Norovirus 3CL protease in complex an oxadiazole-based, cell permeable macrocyclic (21-mer) inhibitor
分子名称: 3C-LIKE PROTEASE, CHLORIDE ION, tert-butyl [(4S,7S,10S)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-23-oxa-6,9,14,21,22-pentaazabicyclo[18.2.1]tricosa-1(22),20-dien-4-yl]carbamate
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Damalanka, V.C, Kim, Y, Alliston, K.R, Weerawarna, P.M, Kankanamalage, A.C.G, Lushington, G.H, Chang, K.-O, Groutas, W.C.
登録日2015-08-27
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Oxadiazole-Based Cell Permeable Macrocyclic Transition State Inhibitors of Norovirus 3CL Protease.
J.Med.Chem., 59, 2016
5VU7
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BU of 5vu7 by Molmil
TNA polymerase, open ternary complex
分子名称: 5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXYTETRAHYDROFURAN-3-YL DIHYDROGEN PHOSPHATE, DNA polymerase, DNA template, ...
著者Chim, N, Chaput, J.C.
登録日2017-05-18
公開日2017-12-06
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Structural basis for TNA synthesis by an engineered TNA polymerase.
Nat Commun, 8, 2017
5VUO
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BU of 5vuo by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((3-(4-Methoxypyridin-3-yl)propyl)amino)methyl)quinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({[3-(4-methoxypyridin-3-yl)propyl]amino}methyl)quinolin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2017-05-19
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.
J. Med. Chem., 60, 2017
5D8S
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BU of 5d8s by Molmil
2.55A resolution structure of BfrB (E85A) from Pseudomonas aeruginosa
分子名称: Ferroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
著者Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
登録日2015-08-17
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
7EEU
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BU of 7eeu by Molmil
Human p53 core domain with hot spot mutation R282W in complex with the natural CDKN1A(p21) p53-response element and Arsenic
分子名称: ARSENIC, CDKN1A(p21) anti-sense strand, CDKN1A(p21) sense strand, ...
著者Xing, Y.F, Lu, M.
登録日2021-03-19
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Human p53 core domain with hot spot mutation R282W in complex with the natural CDKN1A(p21) p53-response element and Arsenic
To Be Published
5VV0
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BU of 5vv0 by Molmil
Structure of human neuronal nitric oxide synthase heme domain in complex with 7-(((3-(4-Methylpyridin-3-yl)propyl)amino)methyl)quinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({[3-(4-methylpyridin-3-yl)propyl]amino}methyl)quinolin-2-amine, Nitric oxide synthase, ...
著者Li, H, Poulos, T.L.
登録日2017-05-19
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.
J. Med. Chem., 60, 2017
5W5K
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BU of 5w5k by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with KV70
分子名称: 10-{[4-(hydroxycarbamoyl)phenyl]methyl}-5lambda~4~-pyrido[3,2-b][1,4]benzothiazin-10-ium, Histone deacetylase 6, POTASSIUM ION, ...
著者Porter, N.J, Christianson, D.W.
登録日2017-06-15
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Synthesis and Biological Investigation of Phenothiazine-Based Benzhydroxamic Acids as Selective Histone Deacetylase 6 Inhibitors.
J.Med.Chem., 62, 2019
5DGC
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BU of 5dgc by Molmil
Reaction of phosphorylated CheY with imidazole 2 of 3
分子名称: BERYLLIUM TRIFLUORIDE ION, CHLORIDE ION, Chemotaxis protein CheY, ...
著者Page, S, Silversmith, R.E, Bourret, R.B, Collins, E.J.
登録日2015-08-27
公開日2016-03-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Imidazole as a Small Molecule Analogue in Two-Component Signal Transduction.
Biochemistry, 54, 2015
5DGO
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BU of 5dgo by Molmil
Crystal structure of cell division cycle protein 45 (Cdc45)
分子名称: 1,2-ETHANEDIOL, Cell division control protein 45 homolog, SULFATE ION
著者Simon, A.C, Pellegrini, L.
登録日2015-08-28
公開日2016-05-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of human Cdc45 and implications for CMG helicase function.
Nat Commun, 7, 2016
5VVD
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BU of 5vvd by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 4-(2-(((2-Amino-4-methylquinolin-7-yl)methyl)amino)ethyl)benzonitrile
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
著者Li, H, Poulos, T.L.
登録日2017-05-19
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.
J. Med. Chem., 60, 2017
5H8O
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BU of 5h8o by Molmil
Crystal structure of an ASC-binding nanobody in complex with the CARD domain of ASC
分子名称: Apoptosis-associated speck-like protein containing a CARD, VHH nanobody
著者Lu, A, Schmidt, F.I, Ruan, J, Tang, C, Wu, H, Ploegh, H.L.
登録日2015-12-23
公開日2016-04-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (4.206 Å)
主引用文献A single domain antibody fragment that recognizes the adaptor ASC defines the role of ASC domains in inflammasome assembly.
J.Exp.Med., 213, 2016
5DH0
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BU of 5dh0 by Molmil
Structure of the siderophore periplasmic binding protein from the fuscachelin gene cluster of Thermobifida fusca in P41
分子名称: siderophore periplasmic binding protein
著者Li, K, Bruner, S.D.
登録日2015-08-29
公開日2015-11-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.444 Å)
主引用文献Structure and functional analysis of the siderophore periplasmic binding protein from the fuscachelin gene cluster of Thermobifida fusca.
Proteins, 84, 2016
5VXL
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BU of 5vxl by Molmil
2.80 A resolution structure of IpaD from Shigella flexneri in complex with single-domain antibody JPS-G3
分子名称: Invasin IpaD, single-domain antibody JPS-G3
著者Barta, M.L, Lovell, S, Battaile, K.P, Picking, W.D, Picking, W.L.
登録日2017-05-23
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献2.80 A resolution structure of IpaD from Shigella flexneri in complex with single-domain antibody JPS-G3
To Be Published
5VY1
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BU of 5vy1 by Molmil
Crystal structure of the extended Tudor domain from BmPAPI
分子名称: Tudor and KH domain-containing protein homolog
著者Hubbard, P.A, Pan, X, McNally, R, Ohtaki, A, Honda, S, Kirino, Y, Murali, R.
登録日2017-05-24
公開日2017-06-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Structural studies of the Tudor domain from the Bombyx homolog of Drosophila PAPI: Implication to piRNA biogenesis
To Be Published
5HEN
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BU of 5hen by Molmil
Crystal structure of the N-terminus R100L bromodomain mutant of human BRD2
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 2
著者Tallant, C, Lori, C, Pasquo, A, Chiaraluce, R, Consalvi, V, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S.
登録日2016-01-06
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystal structure of the N-terminus R100L bromodomain mutant of human BRD2
To Be Published

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