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3B8H
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BU of 3b8h by Molmil
Structure of the eEF2-ExoA(E546A)-NAD+ complex
分子名称: Elongation factor 2, Exotoxin A, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Jorgensen, R, Merrill, A.R.
登録日2007-11-01
公開日2008-06-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The nature and character of the transition state for the ADP-ribosyltransferase reaction.
Embo Rep., 9, 2008
3QKJ
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BU of 3qkj by Molmil
The PWWP domain of human DNA (CYTOSINE-5-)-METHYLTRANSFERASE 3 BETA in complex with a bis-tris molecule
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA cytosine-5 methyltransferase 3 beta isoform 6 variant, SULFATE ION
著者Zeng, H, Amaya, M.F, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Botchkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2011-02-01
公開日2011-03-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural and Histone Binding Ability Characterizations of Human PWWP Domains.
Plos One, 6, 2011
6M2W
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Structure of RyR1 (Ca2+/Caffeine/ATP/CaM1234/CHL)
分子名称: 5-bromanyl-N-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, ...
著者Ma, R, Haji-Ghassemi, O, Ma, D, Lin, L, Samurkas, A, Van Petegem, F, Yuchi, Z.
登録日2020-03-01
公開日2020-09-02
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis for diamide modulation of ryanodine receptor.
Nat.Chem.Biol., 16, 2020
8HC0
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BU of 8hc0 by Molmil
Crystal structure of the extracellular domains of GPR110
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Adhesion G-protein coupled receptor F1, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Wang, F.F, Song, G.J.
登録日2022-11-01
公開日2023-09-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of the Extracellular Domains of GPR110.
J.Mol.Biol., 435, 2023
7BFZ
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BU of 7bfz by Molmil
X-ray structure of human prostate-specific membrane antigen(PSMA) in complex with a inhibitor Glu-490
分子名称: (((S)-1-carboxy-5-((E)-2-cyano-3-(5-(1-(3-methoxy-3-oxopropyl)-1,2,3,4-tetrahydroquinolin-6-yl)thiophen-2-yl)acrylamido)pentyl)carbamoyl)-L-glutamic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Rakhimbekova, A, Motlova, L, Barinka, C.
登録日2021-01-05
公開日2021-08-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献A prostate-specific membrane antigen activated molecular rotor for real-time fluorescence imaging.
Nat Commun, 12, 2021
3KMX
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BU of 3kmx by Molmil
Structure of BACE bound to SCH346572
分子名称: 4-butoxy-3-chlorobenzyl imidothiocarbamate, Beta-secretase 1
著者Strickland, C, Wang, Y.
登録日2009-11-11
公開日2010-01-19
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel muM Leads for the Development of nM BACE-1 (beta-Site APP Cleaving Enzyme 1) Inhibitors.
J.Med.Chem., 53, 2010
3KN0
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Structure of BACE bound to SCH708236
分子名称: 3-[2-(3-{[(furan-2-ylmethyl)(methyl)amino]methyl}phenyl)ethyl]pyridin-2-amine, Beta-secretase 1, L(+)-TARTARIC ACID
著者Strickland, C, Wang, Y.
登録日2009-11-11
公開日2010-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel muM Leads for the Development of nM BACE-1 (beta-Site APP Cleaving Enzyme 1) Inhibitors.
J.Med.Chem., 53, 2010
6M39
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BU of 6m39 by Molmil
Cryo-EM structure of SADS-CoV spike
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Ouyang, S, Hongxin, G.
登録日2020-03-03
公開日2020-08-26
最終更新日2020-11-11
実験手法ELECTRON MICROSCOPY (3.55 Å)
主引用文献Cryo-electron Microscopy Structure of the Swine Acute Diarrhea Syndrome Coronavirus Spike Glycoprotein Provides Insights into Evolution of Unique Coronavirus Spike Proteins.
J.Virol., 94, 2020
3QUP
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BU of 3qup by Molmil
Inhibitor bound structure of the kinase domain of the murine receptor tyrosine kinase TYRO3 (Sky)
分子名称: (5-fluoro-1H-indol-2-yl)[(3R)-1'-[(3R)-piperidin-3-yl]spiro[indole-3,3'-pyrrolidin]-1(2H)-yl]methanone, Tyrosine-protein kinase receptor TYRO3
著者Ohren, J.F.
登録日2011-02-24
公開日2011-12-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Novel and selective spiroindoline-based inhibitors of sky kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3R0W
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BU of 3r0w by Molmil
Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors.
分子名称: Multidrug-resistant clinical isolate 769 HIV-1 Protease, N-[(2R)-1-{[(2S,3S)-5-{[(2R)-1-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-chloro-1-oxopropan-2-yl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
著者Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C.
登録日2011-03-09
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds.
Biochem.Biophys.Res.Commun., 421, 2012
3PMI
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BU of 3pmi by Molmil
PWWP Domain of Human Mutated Melanoma-Associated Antigen 1
分子名称: DI(HYDROXYETHYL)ETHER, PWWP domain-containing protein MUM1, SULFATE ION, ...
著者Lam, R, Zeng, H, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2010-11-17
公開日2010-12-15
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Structural and histone binding ability characterizations of human PWWP domains.
Plos One, 6, 2011
5B6K
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BU of 5b6k by Molmil
Crystal structure of Ketoreductase 1 from Candida glabrata
分子名称: SULFATE ION, Uncharacterized protein CgKR1
著者Qin, B, Mori, T, Abe, I, You, S.
登録日2016-05-30
公開日2017-05-31
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Engineering of Candida glabrata Ketoreductase 1 for Asymmetric Reduction of alpha-Halo Ketones
To Be Published
5GW8
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BU of 5gw8 by Molmil
Crystal structure of a putative DAG-like lipase (MgMDL2) from Malassezia globosa
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, ACETIC ACID, ...
著者Xu, J, Xu, H, Liu, J.
登録日2016-09-09
公開日2017-09-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Malassezia globosa MgMDL2 lipase: Crystal structure and rational modification of substrate specificity.
Biochem. Biophys. Res. Commun., 488, 2017
5CQJ
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BU of 5cqj by Molmil
Crystal structure of E. coli undecaprenyl pyrophosphate synthase in complex with clomiphene
分子名称: Clomifene, Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific)
著者Worrall, L.J, Conrady, D.G, Strynadka, N.C.
登録日2015-07-21
公開日2015-08-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Antagonism screen for inhibitors of bacterial cell wall biogenesis uncovers an inhibitor of undecaprenyl diphosphate synthase.
Proc.Natl.Acad.Sci.USA, 112, 2015
3R0Y
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BU of 3r0y by Molmil
Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors
分子名称: Multidrug-resistant clinical isolate 769 HIV-1 Protease, N-[(2S)-1-{[(2S,3S)-3-hydroxy-5-oxo-5-{[(2R)-1-oxo-3-phenyl-1-(prop-2-yn-1-ylamino)propan-2-yl]amino}-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
著者Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C.
登録日2011-03-09
公開日2012-04-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds.
Biochem.Biophys.Res.Commun., 421, 2012
5CQB
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BU of 5cqb by Molmil
Crystal structure of E. coli undecaprenyl pyrophosphate synthase
分子名称: Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific), TRIETHYLENE GLYCOL
著者Worrall, L.J, Conrady, D.G, Strynadka, N.C.
登録日2015-07-21
公開日2015-08-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Antagonism screen for inhibitors of bacterial cell wall biogenesis uncovers an inhibitor of undecaprenyl diphosphate synthase.
Proc.Natl.Acad.Sci.USA, 112, 2015
4J1J
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BU of 4j1j by Molmil
Leanyer orthobunyavirus nucleoprotein-ssDNA complex
分子名称: DNA (5'-D(P*AP*CP*CP*AP*AP*AP*CP*AP*AP*CP*CP*CP*AP*CP*CP*CP*A)-3'), Nucleocapsid
著者Niu, F, Shaw, N, Wang, Y, Jiao, L, Ding, W, Li, X, Zhu, P, Upur, H, Ouyang, S, Cheng, G, Liu, Z.J.
登録日2013-02-01
公開日2013-04-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure of the Leanyer orthobunyavirus nucleoprotein-RNA complex reveals unique architecture for RNA encapsidation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4G2M
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Structure of a Lys-HCT mutant from Coffea canephora (Crystal form 2)
分子名称: Hydroxycinnamoyl-CoA shikimate/quinate hydroxycinnamoyltransferase
著者Lallemand, L.A, McCarthy, J.G, McCarthy, A.A.
登録日2012-07-12
公開日2012-08-01
最終更新日2012-11-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A structural basis for the biosynthesis of the major chlorogenic acids found in coffee.
Plant Physiol., 160, 2012
4J1G
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Leanyer orthobunyavirus nucleoprotein-ssRNA complex
分子名称: Nucleocapsid, RNA (45-MER)
著者Niu, F, Shaw, N, Wang, Y, Jiao, L, Ding, W, Li, X, Zhu, P, Upur, H, Ouyang, S, Cheng, G, Liu, Z.J.
登録日2013-02-01
公開日2013-04-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.789 Å)
主引用文献Structure of the Leanyer orthobunyavirus nucleoprotein-RNA complex reveals unique architecture for RNA encapsidation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4G0B
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Structure of native HCT from Coffea canephora
分子名称: Hydroxycinnamoyl-CoA shikimate/quinate hydroxycinnamoyltransferase, SULFATE ION
著者Lallemand, L.A, McCarthy, J.G, McCarthy, A.A.
登録日2012-07-09
公開日2012-08-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A structural basis for the biosynthesis of the major chlorogenic acids found in coffee.
Plant Physiol., 160, 2012
7XNS
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SARS-CoV-2 Omicron BA.2.12.1 variant spike
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, Spike glycoprotein
著者Wang, X, Wang, L.
登録日2022-04-29
公開日2022-07-13
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.48 Å)
主引用文献BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7XIY
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SARS-CoV-2 Omicron BA.3 variant spike
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, Spike glycoprotein
著者Wang, X, Wang, L.
登録日2022-04-14
公開日2022-07-13
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7XIX
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SARS-CoV-2 Omicron BA.2 variant spike (state 2)
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, Spike glycoprotein
著者Wang, X, Wang, L.
登録日2022-04-14
公開日2022-07-13
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7XNQ
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SARS-CoV-2 Omicron BA.4 variant spike
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, Spike glycoprotein
著者Wang, X, Wang, L.
登録日2022-04-29
公開日2022-07-13
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
4FX4
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Crystal structure of M. tuberculosis transcriptional regulator MOSR (Rv1049) in compex with DNA
分子名称: DNA (5'-D(*TP*AP*CP*AP*GP*AP*TP*TP*CP*GP*TP*GP*TP*AP*GP*CP*TP*AP*CP*AP*CP*GP*AP*AP*TP*CP*TP*GP*T)-3'), PHOSPHATE ION, PROBABLE TRANSCRIPTIONAL REPRESSOR PROTEIN
著者Brugarolas, P, He, C.
登録日2012-07-02
公開日2012-09-26
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.1001 Å)
主引用文献The Oxidation-sensing Regulator (MosR) Is a New Redox-dependent Transcription Factor in Mycobacterium tuberculosis.
J.Biol.Chem., 287, 2012

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