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8E1A
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BU of 8e1a by Molmil
Structure-based study to overcome cross-reactivity of novel androgen receptor inhibitors
分子名称: 1,2-ETHANEDIOL, 4-[4-(3-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine, Androgen receptor
著者Lallous, N, Li, H, Radaeva, M, Dalal, K, Leblanc, E, Ban, F, Ciesielski, F, Chow, B, Morin, M, Singh, K, Rennie, P.S, Cherkasov, A.
登録日2022-08-10
公開日2022-09-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure-Based Study to Overcome Cross-Reactivity of Novel Androgen Receptor Inhibitors.
Cells, 11, 2022
5FIL
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BU of 5fil by Molmil
Bovine mitochondrial ATP synthase state 3b
分子名称: ATP SYNTHASE F(0) COMPLEX SUBUNIT B1, MITOCHONDRIAL, ATP SYNTHASE F(0) COMPLEX SUBUNIT C1, ...
著者Zhou, A, Rohou, A, Schep, D.G, Bason, J.V, Montgomery, M.G, Walker, J.E, Grigorieff, N, Rubinstein, J.L.
登録日2015-09-28
公開日2015-10-14
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (7.1 Å)
主引用文献Structure and conformational states of the bovine mitochondrial ATP synthase by cryo-EM.
Elife, 4, 2015
5CI4
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BU of 5ci4 by Molmil
Ribonucleotide reductase beta subunit
分子名称: MU-OXO-DIIRON, Ribonucleoside-diphosphate reductase 1, beta subunit, ...
著者Funk, M.A, Drennan, C.L.
登録日2015-07-10
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Biophysical Characterization of Fluorotyrosine Probes Site-Specifically Incorporated into Enzymes: E. coli Ribonucleotide Reductase As an Example.
J.Am.Chem.Soc., 138, 2016
5FN3
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BU of 5fn3 by Molmil
Cryo-EM structure of gamma secretase in class 1 of the apo- state ensemble
分子名称: Gamma-secretase subunit APH-1A, Gamma-secretase subunit PEN-2, Nicastrin, ...
著者Bai, X.C, Rajendra, E, Yang, G.H, Shi, Y.G, Scheres, S.H.W.
登録日2015-11-10
公開日2015-12-16
最終更新日2019-09-11
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Sampling the conformational space of the catalytic subunit of human gamma-secretase.
Elife, 4, 2015
6E1M
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BU of 6e1m by Molmil
Structure of AtTPC1(DDE) reconstituted in saposin A
分子名称: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, CALCIUM ION, PALMITIC ACID, ...
著者Kintzer, A.F, Green, E.M, Cheng, Y, Stroud, R.M.
登録日2018-07-10
公開日2018-09-19
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis for activation of voltage sensor domains in an ion channel TPC1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8E1F
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BU of 8e1f by Molmil
Sterile Alpha Motif Domain of Human Translocation ETS Leukemia, Non-Polymer Crystal Form
分子名称: CHLORIDE ION, MAGNESIUM ION, SULFATE ION, ...
著者Wilson, E, Nawarathnage, S, Stewart, C, Brown, S, Bezzant, B, Bunn, D, Towne, N, Pedroza Romo, M.J, Moody, J.D.
登録日2022-08-10
公開日2022-09-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Sterile Alpha Motif Domain of Human Translocation ETS Leukemia, Non-Polymer Crystal Form
To Be Published
357D
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BU of 357d by Molmil
3.5 A structure of fragment I from E. coli 5S RRNA
分子名称: MAGNESIUM ION, MERCURY (II) ION, RNA (5'-R(*CP*CP*CP*CP*AP*UP*GP*CP*GP*AP*GP*AP*GP*UP*AP*GP*G P*GP*AP*AP*CP*UP* GP*CP*CP*AP*GP*GP*CP*AP*U)-3'), ...
著者Correll, C.C, Freeborn, B, Moore, P.B, Steitz, T.A.
登録日1997-10-09
公開日1997-12-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Metals, motifs, and recognition in the crystal structure of a 5S rRNA domain.
Cell(Cambridge,Mass.), 91, 1997
1BWN
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BU of 1bwn by Molmil
PH DOMAIN AND BTK MOTIF FROM BRUTON'S TYROSINE KINASE MUTANT E41K IN COMPLEX WITH INS(1,3,4,5)P4
分子名称: BRUTON'S TYROSINE KINASE, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, ZINC ION
著者Djinovic Carugo, K, Baraldi, E, Hyvoenen, M, Lo Surdo, P, Riley, A, Potter, B, Saraste, M.
登録日1998-09-25
公開日1999-06-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the PH domain from Bruton's tyrosine kinase in complex with inositol 1,3,4,5-tetrakisphosphate.
Structure Fold.Des., 7, 1999
6DZD
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BU of 6dzd by Molmil
Crystal structure of Bacillus licheniformis hypothetical protein YfiH
分子名称: CHLORIDE ION, POTASSIUM ION, SODIUM ION, ...
著者Almeida, L.R, Grejo, M.P, Mulinari, E.J, Santos, J.C, Camargo, S, Bernardes, A, Muniz, J.R.C.
登録日2018-07-03
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Crystal structure of Bacillus licheniformis hypothetical protein YfiH
To Be Published
6JXT
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BU of 6jxt by Molmil
Crystal structure of EGFR 696-1022 WT in complex with AZD9291 prepared by cocrystallization
分子名称: CHLORIDE ION, Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
著者Yun, C.H, Zhu, S.J, Yan, X.E.
登録日2019-04-25
公開日2020-04-29
最終更新日2020-11-04
実験手法X-RAY DIFFRACTION (2.307 Å)
主引用文献Structural Basis of AZD9291 Selectivity for EGFR T790M.
J.Med.Chem., 63, 2020
1KYN
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BU of 1kyn by Molmil
Cathepsin-G
分子名称: (2-NAPHTHALEN-2-YL-1-NAPHTHALEN-1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID, cathepsin G
著者Greco, M.N, Hawkins, M.J, Powell, E.T, Almond Jr, H.R, Corcoran, T.W, De Garavilla, L, Kauffman, J.A, Recacha, R, Chattopadhyay, D, Andrade-Gordon, P, Maryanoff, B.E.
登録日2002-02-05
公開日2002-05-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Nonpeptide inhibitors of cathepsin G: optimization of a novel beta-ketophosphonic acid lead by structure-based drug design.
J.Am.Chem.Soc., 124, 2002
6E13
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BU of 6e13 by Molmil
Pseudomonas putida PqqB with a non-physiological zinc at the active site binds the substrate mimic, 5-cysteinyl-3,4-dihydroxyphenylalanine (5-Cys-DOPA), non-specifically but supports the proposed function of the enzyme in pyrroloquinoline quinone biosynthesis.
分子名称: 3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine, CHLORIDE ION, Coenzyme PQQ synthesis protein B, ...
著者Evans III, R.L, Wilmot, C.M.
登録日2018-07-09
公開日2019-05-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.349 Å)
主引用文献Discovery of Hydroxylase Activity for PqqB Provides a Missing Link in the Pyrroloquinoline Quinone Biosynthetic Pathway.
J.Am.Chem.Soc., 141, 2019
6E18
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BU of 6e18 by Molmil
Crystal structure of Chlamydomonas reinhardtii HAP2 ectodomain provides structural insights of functional loops in green algae.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Baquero, E, Legrand, P, Rey, F.A.
登録日2018-07-09
公開日2018-11-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Species-Specific Functional Regions of the Green Alga Gamete Fusion Protein HAP2 Revealed by Structural Studies.
Structure, 27, 2019
4I9Y
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BU of 4i9y by Molmil
Structure of the C-terminal domain of Nup358
分子名称: CHLORIDE ION, E3 SUMO-protein ligase RanBP2, GLYCEROL, ...
著者Lin, D.H, Zimmermann, S, Stuwe, T, Stuwe, E, Hoelz, A.
登録日2012-12-05
公開日2013-01-30
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and Functional Analysis of the C-Terminal Domain of Nup358/RanBP2.
J.Mol.Biol., 425, 2013
8JPE
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BU of 8jpe by Molmil
Focused refinement structure of Galpha(q) in NTSR1-GRK2-Galpha(q) complexes
分子名称: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(q) subunit alpha, MAGNESIUM ION, ...
著者Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E.
登録日2023-06-11
公開日2023-08-09
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (2.91 Å)
主引用文献GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
3F3S
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BU of 3f3s by Molmil
The Crystal Structure of Human Lambda-Crystallin, CRYL1
分子名称: CHLORIDE ION, GLYCEROL, Lambda-crystallin homolog, ...
著者Ugochukwu, E, Johansson, C, Yue, W.W, Kochan, G, Pilka, E, Kramm, A, Pike, A.C.W, Filippakopoulos, P, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2008-10-31
公開日2008-11-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Crystal Structure of Human Lambda-Crystallin, CRYL1
To be Published
1QHA
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BU of 1qha by Molmil
HUMAN HEXOKINASE TYPE I COMPLEXED WITH ATP ANALOGUE AMP-PNP
分子名称: 6-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Rosano, C, Sabini, E, Deriu, D, Magnani, M, Bolognesi, M.
登録日1999-05-11
公開日1999-11-10
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Binding of non-catalytic ATP to human hexokinase I highlights the structural components for enzyme-membrane association control.
Structure Fold.Des., 7, 1999
3IFT
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BU of 3ift by Molmil
Crystal structure of glycine cleavage system protein H from Mycobacterium tuberculosis, using X-rays from the Compact Light Source.
分子名称: Glycine cleavage system H protein
著者Edwards, T.E, Abendroth, J, Staker, B, Mayer, C, Phan, I, Kelley, A, Analau, E, Leibly, D, Rifkin, J, Loewen, R, Ruth, R.D, Stewart, L.J, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D)
登録日2009-07-25
公開日2009-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray structure determination of the glycine cleavage system protein H of Mycobacterium tuberculosis using an inverse Compton synchrotron X-ray source.
J.Struct.Funct.Genom., 11, 2010
6DZS
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BU of 6dzs by Molmil
Mycobacterial homoserine dehydrogenase ThrA in complex with NADP
分子名称: Homoserine dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Chaton, C.T, Rodriguez, E.S, Korotkov, K.V.
登録日2018-07-05
公開日2018-07-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structure of mycobacterial homoserine dehydrogenase ThrA
To be Published
4Q01
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BU of 4q01 by Molmil
Second-site screening of K-Ras in the presence of covalently attached first-site ligands
分子名称: GUANOSINE-5'-DIPHOSPHATE, K-Ras, MAGNESIUM ION, ...
著者Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W.
登録日2014-03-31
公開日2014-09-10
実験手法X-RAY DIFFRACTION (1.291 Å)
主引用文献A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand.
J.Biomol.Nmr, 60, 2014
6E3J
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BU of 6e3j by Molmil
Human Bfl-1 in complex with the Bfl-1-specific designed peptide srt.F10
分子名称: Bcl-2-related protein A1, SULFATE ION, peptide srt.F10
著者Jenson, J.M, Keating, A.E.
登録日2018-07-14
公開日2018-10-17
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (1.482 Å)
主引用文献Peptide design by optimization on a data-parameterized protein interaction landscape.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6E3I
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BU of 6e3i by Molmil
Human Bfl-1 in complex with the Bfl-1-specific designed peptide srt.F4
分子名称: Bcl-2-related protein A1, SULFATE ION, peptide srt.F4
著者Jenson, J.M, Keating, A.E.
登録日2018-07-14
公開日2018-10-17
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (1.481 Å)
主引用文献Peptide design by optimization on a data-parameterized protein interaction landscape.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6E1P
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BU of 6e1p by Molmil
Structure of AtTPC1(DDE) in state 2
分子名称: CALCIUM ION, PALMITIC ACID, Two pore calcium channel protein 1
著者Kintzer, A.F, Green, E.M, Cheng, Y, Stroud, R.M.
登録日2018-07-10
公開日2018-09-19
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural basis for activation of voltage sensor domains in an ion channel TPC1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6E04
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BU of 6e04 by Molmil
sperm whale myoglobin 1-nitrosopropane
分子名称: 1-nitrosopropane, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Herrera, V.E.
登録日2018-07-06
公開日2019-07-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives.
Biochemistry, 62, 2023
1BQ4
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SACCHAROMYCES CEREVISIAE PHOSPHOGLYCERATE MUTASE IN COMPLEX WITH BENZENE HEXACARBOXYLATE
分子名称: BENZENE HEXACARBOXYLIC ACID, PROTEIN (PHOSPHOGLYCERATE MUTASE 1), SULFATE ION
著者Rigden, D.J, Phillips, S.E.V, Fothergill-Gilmore, L.A.
登録日1998-08-20
公開日1998-08-26
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Polyanionic inhibitors of phosphoglycerate mutase: combined structural and biochemical analysis.
J.Mol.Biol., 289, 1999

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