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6GJ5
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BU of 6gj5 by Molmil
CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 15
分子名称: (3~{S})-3-[2-[(2~{R})-pyrrolidin-2-yl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ...
著者Kessler, D, Mcconnell, D.M, Mantoulidis, A.
登録日2018-05-16
公開日2019-07-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
1CY2
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BU of 1cy2 by Molmil
COMPLEX OF E.COLI DNA TOPOISOMERASE I WITH TPTPTP3'
分子名称: DNA TOPOISOMERASE I, PHOSPHATE ION, THYMIDINE-5'-PHOSPHATE
著者Feinberg, H, Changela, A, Mondragon, A.
登録日1999-08-31
公開日2000-03-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Protein-nucleotide interactions in E. coli DNA topoisomerase I.
Nat.Struct.Biol., 6, 1999
8JQ5
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BU of 8jq5 by Molmil
Crystal structure of Lactobacillus rhamnosus L-rhamnose isomerase in complex with D-allulose
分子名称: D-psicose, L-rhamnose isomerase, MANGANESE (II) ION, ...
著者Yoshida, H, Yoshihara, A.
登録日2023-06-13
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献X-ray structure and characterization of a probiotic Lactobacillus rhamnosus Probio-M9 L-rhamnose isomerase.
Appl.Microbiol.Biotechnol., 108, 2024
8JS9
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BU of 8js9 by Molmil
Cryo-EM structure of SV2A in complex with BoNT/A2 Hc
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, Botulinum neurotoxin, ...
著者Yamagata, A.
登録日2023-06-19
公開日2024-05-01
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献Structural basis for antiepileptic drugs and botulinum neurotoxin recognition of SV2A.
Nat Commun, 15, 2024
4C4H
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BU of 4c4h by Molmil
Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1
分子名称: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, tert-butyl 6-((2-chloro-4-(dimethylcarbamoyl)phenyl)amino)-2-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate
著者Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J.
登録日2013-09-05
公開日2013-12-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1).
J.Med.Chem., 56, 2013
8IYO
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BU of 8iyo by Molmil
Crystal structure of a protein acetyltransferase, HP0935, acetyl-CoA bound form
分子名称: ACETYL COENZYME *A, N-acetyltransferase domain-containing protein
著者Dadireddy, V, Mahanta, P, Kumar, A, Desirazu, R.N, Ramakumar, S.
登録日2023-04-05
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of a protein acetyltransferase, HP0935, acetyl-CoA bound form
To be published
8JQ6
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BU of 8jq6 by Molmil
Crystal structure of Lactobacillus rhamnosus L-rhamnose isomerase in complex with D-allose
分子名称: L-rhamnose isomerase, MANGANESE (II) ION, alpha-D-allopyranose, ...
著者Yoshida, H, Yoshihara, A.
登録日2023-06-13
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献X-ray structure and characterization of a probiotic Lactobacillus rhamnosus Probio-M9 L-rhamnose isomerase.
Appl.Microbiol.Biotechnol., 108, 2024
8IYM
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BU of 8iym by Molmil
Crystal structure of a protein acetyltransferase, HP0935
分子名称: 1,2-ETHANEDIOL, N-acetyltransferase domain-containing protein, POTASSIUM ION, ...
著者Dadireddy, V, Mahanta, P, Kumar, A, Desirazu, R.N, Ramakumar, S.
登録日2023-04-05
公開日2024-04-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a protein acetyltransferase, HP0935
To be published
4YYX
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BU of 4yyx by Molmil
Crystal structure of the ZO-1 PDZ1 domain in complex with the 7-mer Claudin2 C-terminal tail
分子名称: FORMIC ACID, Tight junction protein ZO-1 fused with Claudin-2 C-terminal
著者Nomme, J, Lavie, A.
登録日2015-03-24
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural Basis of a Key Factor Regulating the Affinity between the Zonula Occludens First PDZ Domain and Claudins.
J.Biol.Chem., 290, 2015
3J7Y
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BU of 3j7y by Molmil
Structure of the large ribosomal subunit from human mitochondria
分子名称: 16S rRNA, ADENOSINE MONOPHOSPHATE, CRIF1, ...
著者Brown, A, Amunts, A, Bai, X.C, Sugimoto, Y, Edwards, P.C, Murshudov, G, Scheres, S.H.W, Ramakrishnan, V.
登録日2014-08-26
公開日2014-10-15
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure of the large ribosomal subunit from human mitochondria.
Science, 346, 2014
5NDD
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BU of 5ndd by Molmil
Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in complex with AZ8838 at 2.8 angstrom resolution
分子名称: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol, Lysozyme,Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2, PHOSPHATE ION, ...
著者Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N.
登録日2017-03-08
公開日2017-05-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 2017
3JSV
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BU of 3jsv by Molmil
Crystal structure of mouse NEMO CoZi in complex with Lys63-linked di-ubiquitin
分子名称: NF-kappa-B essential modulator, Ubiquitin
著者Yoshikawa, A, Sato, Y, Mimura, H, Yamashita, M, Yamagata, A, Fukai, S.
登録日2009-09-11
公開日2009-10-27
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the NEMO ubiquitin-binding domain in complex with Lys 63-linked di-ubiquitin
Febs Lett., 583, 2009
8J1K
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BU of 8j1k by Molmil
co-crystal structure of non-carboxylic acid inhibitor with PHD2
分子名称: Egl nine homolog 1, MANGANESE (II) ION, N-[(6-cyanopyridin-3-yl)methyl]-5-oxidanyl-2-[(3R)-3-oxidanylpyrrolidin-1-yl]-1,7-naphthyridine-6-carboxamide
著者Xu, J, Fu, Y, Ding, X, Meng, Q, Wang, L, Zhang, M, Ding, X, Ren, F, Zhavoronkov, A.
登録日2023-04-13
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.451 Å)
主引用文献co-crystal structure of non-carboxylic acid inhibitor with PHD2
To Be Published
4YZU
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BU of 4yzu by Molmil
Rapid development of two Factor IXa inhibitors from Hit to Lead
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Coagulation factor IX, ...
著者Hruza, A, Reichert, P.
登録日2015-03-25
公開日2015-05-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Rapid development of two factor IXa inhibitors from hit to lead.
Bioorg.Med.Chem.Lett., 25, 2015
6TRA
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BU of 6tra by Molmil
Cryo- EM structure of the Thermosynechococcus elongatus photosystem I in the presence of cytochrome c6
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Koelsch, A, Radon, C, Baumert, A, Buerger, J, Miehlke, T, Lisdat, F, Zouni, A, Wendler, P.
登録日2019-12-18
公開日2020-09-16
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Current limits of structural biology: The transient interaction between cytochrome c6 and photosystem I
Curr.Opin.Struct.Biol., 2, 2020
1CY8
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BU of 1cy8 by Molmil
COMPLEX OF E.COLI DNA TOPOISOMERASE I WITH 5'-THYMIDINE MONOPHOSPHATE AND 3'-THYMIDINE MONOPHOSPHATE
分子名称: DNA TOPOISOMERASE I, PHOSPHATE ION, THYMIDINE-3'-PHOSPHATE, ...
著者Feinberg, H, Changela, A, Mondragon, A.
登録日1999-08-31
公開日2000-03-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Protein-nucleotide interactions in E. coli DNA topoisomerase I.
Nat.Struct.Biol., 6, 1999
3JZ9
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BU of 3jz9 by Molmil
Crystal structure of the GEF domain of DrrA/SidM from Legionella pneumophila
分子名称: Uncharacterized protein DrrA
著者Schoebel, S, Oesterlin, L.K, Blankenfeldt, W, Goody, R.S, Itzen, A.
登録日2009-09-23
公開日2010-01-19
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献RabGDI displacement by DrrA from Legionella is a consequence of its guanine nucleotide exchange activity.
Mol.Cell, 36, 2009
3K01
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BU of 3k01 by Molmil
Crystal structures of the GacH receptor of Streptomyces glaucescens GLA.O in the unliganded form and in complex with acarbose and an acarbose homolog. Comparison with acarbose-loaded maltose binding protein of Salmonella typhimurium.
分子名称: Acarbose/maltose binding protein GacH, SULFATE ION
著者Vahedi-Faridi, A, Licht, A, Bulut, H, Schneider, E.
登録日2009-09-24
公開日2010-02-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal Structures of the Solute Receptor GacH of Streptomyces glaucescens in Complex with Acarbose and an Acarbose Homolog: Comparison with the Acarbose-Loaded Maltose-Binding Protein of Salmonella typhimurium.
J.Mol.Biol., 397, 2010
5K0Y
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BU of 5k0y by Molmil
m48S late-stage initiation complex, purified from rabbit reticulocytes lysates, displaying eIF2 ternary complex and eIF3 i and g subunits relocated to the intersubunit face
分子名称: 18S ribosomal RNA, 40S ribosomal protein S12, 40S ribosomal protein S21, ...
著者Simonetti, A, Brito Querido, J, Myasnikov, A.G, Mancera-Martinez, E, Renaud, A, Kuhn, L, Hashem, Y.
登録日2016-05-17
公開日2016-07-13
最終更新日2018-04-18
実験手法ELECTRON MICROSCOPY (5.8 Å)
主引用文献eIF3 Peripheral Subunits Rearrangement after mRNA Binding and Start-Codon Recognition.
Mol.Cell, 63, 2016
5N88
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BU of 5n88 by Molmil
Crystal structure of antibody bound to viral protein
分子名称: PC4 and SFRS1-interacting protein, VH59 antibody
著者Bao, L, Hannon, C, Cruz-Migoni, A, Ptchelkine, D, Sun, M.-y, Derveni, M, Bunjobpol, W, Chambers, J.S, Simmons, A, Phillips, S.E.V, Rabbitts, T.H.
登録日2017-02-23
公開日2017-12-20
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Intracellular immunization against HIV infection with an intracellular antibody that mimics HIV integrase binding to the cellular LEDGF protein.
Sci Rep, 7, 2017
6B46
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BU of 6b46 by Molmil
Cryo-EM structure of Type I-F CRISPR crRNA-guided Csy surveillance complex with bound anti-CRISPR protein AcrF1
分子名称: Anti-CRISPR protein AcrF1, CRISPR-associated endonuclease Cas6/Csy4, CRISPR-associated protein Csy3, ...
著者Guo, T.W, Bartesaghi, A, Yang, H, Falconieri, V, Rao, P, Merk, A, Fox, T, Earl, L, Patel, D.J, Subramaniam, S.
登録日2017-09-25
公開日2017-10-18
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM Structures Reveal Mechanism and Inhibition of DNA Targeting by a CRISPR-Cas Surveillance Complex.
Cell, 171, 2017
6TQL
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BU of 6tql by Molmil
Cryo-EM of elastase-treated human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Stsiapanava, A, Xu, C, Carroni, M, Wu, B, Jovine, L.
登録日2019-12-16
公開日2020-11-04
最終更新日2021-03-03
実験手法ELECTRON MICROSCOPY (3.96 Å)
主引用文献Cryo-EM structure of native human uromodulin, a zona pellucida module polymer.
Embo J., 39, 2020
8JOR
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BU of 8jor by Molmil
Structure of an acyltransferase involved in mannosylerythritol lipid formation from Pseudozyma tsukubaensis in type A crystal
分子名称: Acyltransferase, PENTAETHYLENE GLYCOL
著者Nakamichi, Y, Saika, A, Watanabe, M, Fujii, T, Morita, T.
登録日2023-06-08
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural identification of catalytic His158 of PtMAC2p from Pseudozyma tsukubaensis , an acyltransferase involved in mannosylerythritol lipids formation.
Front Bioeng Biotechnol, 11, 2023
6FIX
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BU of 6fix by Molmil
antitoxin GraA in complex with its operator
分子名称: DNA (30-MER), XRE family transcriptional regulator
著者Talavera, A, Loris, R.
登録日2018-01-19
公開日2019-01-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献A dual role in regulation and toxicity for the disordered N-terminus of the toxin GraT.
Nat Commun, 10, 2019
6AY6
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BU of 6ay6 by Molmil
Naegleria fowleri CYP51-voriconazole complex
分子名称: CYP51, sterol 14alpha-demethylase, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M.
登録日2017-09-07
公開日2017-11-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM).
PLoS Negl Trop Dis, 11, 2017

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