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8DNK
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Crystal structure of human KRAS G12C covalently bound with Taiho WO2020/085493A1 compound 6
分子名称: 2-{[(5-tert-butyl-6-chloro-1H-indazol-3-yl)amino]methyl}-4-chloro-1-methyl-N-(1-propanoylazetidin-3-yl)-1H-imidazole-5-carboxamide, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
著者Mohr, C.
登録日2022-07-11
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors.
J.Comput.Aided Mol.Des., 36, 2022
8E4R
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BU of 8e4r by Molmil
Room-temperature X-ray structure of SARS-CoV-2 main protease H41A miniprecursor mutant in complex with GC373
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Replicase polyprotein 1ab
著者Coates, L, Kneller, D.W, Kovalevsky, A.
登録日2022-08-18
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Unmasking the Conformational Stability and Inhibitor Binding to SARS-CoV-2 Main Protease Active Site Mutants and Miniprecursor.
J.Mol.Biol., 434, 2022
8E4J
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BU of 8e4j by Molmil
Room-temperature X-ray structure of SARS-CoV-2 main protease H41A miniprecursor mutant
分子名称: Replicase polyprotein 1ab
著者Coates, L, Kneller, D.W, Kovalevsky, A.
登録日2022-08-18
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unmasking the Conformational Stability and Inhibitor Binding to SARS-CoV-2 Main Protease Active Site Mutants and Miniprecursor.
J.Mol.Biol., 434, 2022
8DNI
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BU of 8dni by Molmil
Crystal structure of human KRAS G12C covalently bound with Araxes WO2020/028706A1 compound I-1
分子名称: (4P)-4-(5-methyl-1H-indazol-4-yl)-6-(2-propanoyl-2,6-diazaspiro[3.4]octan-6-yl)-2-(pyrrolidin-1-yl)pyrimidine-5-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Mohr, C.
登録日2022-07-11
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors.
J.Comput.Aided Mol.Des., 36, 2022
8DNJ
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BU of 8dnj by Molmil
Crystal structure of human KRAS G12C covalently bound with AstraZeneca WO2020/178282A1 compound 76
分子名称: 1-[(5S,9P,12aR)-9-(2-chloro-6-hydroxyphenyl)-8-ethynyl-10-fluoro-3,4,12,12a-tetrahydro-6H-pyrazino[2,1-c][1,4]benzoxazepin-2(1H)-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
著者Mohr, C.
登録日2022-07-11
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors.
J.Comput.Aided Mol.Des., 36, 2022
6UIW
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BU of 6uiw by Molmil
Cryo-EM structure of human CALHM2 in a ruthenium red-bound inhibited state
分子名称: Calcium homeostasis modulator protein 2, ruthenium(6+) azanide pentaamino(oxido)ruthenium (1/4/2)
著者Lu, W, Du, J, Choi, W.
登録日2019-10-01
公開日2019-11-27
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献The structures and gating mechanism of human calcium homeostasis modulator 2.
Nature, 576, 2019
5C6J
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BU of 5c6j by Molmil
Crystal Structure of Gadolinium derivative of HEWL solved using Free-Electron Laser radiation
分子名称: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ...
著者Galli, L, Barends, T.R.M, Son, S.-K, White, T.A, Barty, A, Botha, S, Boutet, S, Caleman, C, Doak, R.B, Nanao, M.H, Nass, K, Shoeman, R.L, Timneanu, N, Santra, R, Schlichting, I, Chapman, H.N.
登録日2015-06-23
公開日2015-07-08
最終更新日2018-11-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Towards phasing using high X-ray intensity.
Iucrj, 2, 2015
8E90
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BU of 8e90 by Molmil
Inhibition of Human Menin by SNDX-5613
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide, ...
著者McKeever, B.M, KULKARNI, S, McGeehan, G.M.
登録日2022-08-26
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献MEN1 mutations mediate clinical resistance to menin inhibition.
Nature, 615, 2023
6U3U
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BU of 6u3u by Molmil
Crystal Structure of Shiga Toxin 2K
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Shiga toxin 2K subunit A, ...
著者Zhang, Y.Z, He, X.H.
登録日2019-08-22
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.287 Å)
主引用文献Structural and Functional Characterization of Stx2k, a New Subtype of Shiga Toxin 2.
Microorganisms, 8, 2019
8E5W
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BU of 8e5w by Molmil
Crystal structure of dehydroalanine Hip1
分子名称: DI(HYDROXYETHYL)ETHER, PALMITIC ACID, Protease, ...
著者Goldfarb, N.E, Brooks, C.L, Ostrov, D.A.
登録日2022-08-22
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献2.1 angstrom crystal structure of the Mycobacterium tuberculosis serine hydrolase, Hip1, in its anhydro-form (Anhydrohip1).
Biochem.Biophys.Res.Commun., 630, 2022
8DWB
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BU of 8dwb by Molmil
Neuraminidase from influenza virus A/Moscow/10/1999(H3N2) in complex with sialic acid
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, N-acetyl-alpha-neuraminic acid, ...
著者Lei, R, Hernandez Garcia, A.
登録日2022-08-01
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Mutational fitness landscape of human influenza H3N2 neuraminidase.
Cell Rep, 42, 2023
6UIV
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BU of 6uiv by Molmil
Cryo-EM structure of human CALHM2 in an active/open state
分子名称: Calcium homeostasis modulator protein 2
著者Lu, W, Du, J, Choi, W.
登録日2019-10-01
公開日2019-11-27
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The structures and gating mechanism of human calcium homeostasis modulator 2.
Nature, 576, 2019
8E3Q
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BU of 8e3q by Molmil
CRYO-EM STRUCTURE OF the human MPSF
分子名称: Cleavage and polyadenylation specificity factor subunit 1, Cleavage and polyadenylation specificity factor subunit 4, ZINC ION, ...
著者Gutierrez, P.A, Wei, J, Sun, Y, Tong, L.
登録日2022-08-17
公開日2023-01-18
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.68 Å)
主引用文献Molecular basis for the recognition of the AUUAAA polyadenylation signal by mPSF.
Rna, 28, 2022
8ECO
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BU of 8eco by Molmil
Microbacterium phage Oxtober96
分子名称: Major capsid protein
著者Podgorski, J.M, White, S.J.
登録日2022-09-02
公開日2023-02-01
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献A structural dendrogram of the actinobacteriophage major capsid proteins provides important structural insights into the evolution of capsid stability.
Structure, 31, 2023
8EC2
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BU of 8ec2 by Molmil
Mycobacterium phage Adephagia
分子名称: Major capsid protein
著者Podgorski, J.M, White, S.J.
登録日2022-09-01
公開日2023-02-01
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献A structural dendrogram of the actinobacteriophage major capsid proteins provides important structural insights into the evolution of capsid stability.
Structure, 31, 2023
8ECJ
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BU of 8ecj by Molmil
Mycobacterium phage Cain
分子名称: Major capsid protein
著者Podgorski, J.M, White, S.J.
登録日2022-09-02
公開日2023-02-01
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献A structural dendrogram of the actinobacteriophage major capsid proteins provides important structural insights into the evolution of capsid stability.
Structure, 31, 2023
8E8O
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BU of 8e8o by Molmil
Cryo-EM structure of human ME3 in the presence of citrate
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent malic enzyme, mitochondrial
著者Yu, X, Grell, T.A.J, Shaffer, P.L, Steele, R, Sharma, S, Thompson, A.A, Tresadern, G, Ortiz-Meoz, R.F, Mason, M, Gomez-Tamayo, J.C, Riley, D, Wagner, M.V, Wadia, J.
登録日2022-08-25
公開日2023-02-08
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.77 Å)
主引用文献Integrative structural and functional analysis of human malic enzyme 3: A potential therapeutic target for pancreatic cancer.
Heliyon, 8, 2022
3JR6
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BU of 3jr6 by Molmil
Sequential reorganization of beta-sheet topology by insertion of a single strand
分子名称: Lysozyme, SULFATE ION
著者Sagermann, M, Baas, W.A, Matthews, B.W.
登録日2009-09-08
公開日2009-10-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Sequential reorganization of beta-sheet topology by insertion of a single strand.
Protein Sci., 15, 2006
8E76
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BU of 8e76 by Molmil
Cryo-EM structure of Apo form ME3
分子名称: NADP-dependent malic enzyme, mitochondrial
著者Yu, X, Grell, T.A.J, Shaffer, P.L, Steele, R, Sharma, S, Thompson, A.A, Tresadern, G, Ortiz-Meoz, R.F, Mason, M, Gomez-Tamayo, J.C, Riley, D, Wagner, M.V, Wadia, J.
登録日2022-08-23
公開日2023-02-08
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.51 Å)
主引用文献Integrative structural and functional analysis of human malic enzyme 3: A potential therapeutic target for pancreatic cancer.
Heliyon, 8, 2022
8ECN
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BU of 8ecn by Molmil
Mycobacterium phage Ogopogo
分子名称: Major capsid protein
著者Podgorski, J.M, White, S.J.
登録日2022-09-02
公開日2023-02-01
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献A structural dendrogram of the actinobacteriophage major capsid proteins provides important structural insights into the evolution of capsid stability.
Structure, 31, 2023
8EB4
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BU of 8eb4 by Molmil
Gordonia phage Ziko
分子名称: Major capsid protein
著者Podgorski, J.M, White, S.J.
登録日2022-08-30
公開日2023-02-01
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献A structural dendrogram of the actinobacteriophage major capsid proteins provides important structural insights into the evolution of capsid stability.
Structure, 31, 2023
8E78
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BU of 8e78 by Molmil
Cryo-EM structure of human ME3 in the presence of citrate
分子名称: NADP-dependent malic enzyme, mitochondrial
著者Yu, X, Grell, T.A.J, Shaffer, P.L, Steele, R, Sharma, S, Thompson, A.A, Tresadern, G, Ortiz-Meoz, R.F, Mason, M, Gomez-Tamayo, J.C, Riley, D, Wagner, M.V, Wadia, J.
登録日2022-08-23
公開日2023-02-08
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.77 Å)
主引用文献Integrative structural and functional analysis of human malic enzyme 3: A potential therapeutic target for pancreatic cancer.
Heliyon, 8, 2022
8ECI
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BU of 8eci by Molmil
Arthrobacter phage Bridgette
分子名称: Decoration protein, Major capsid protein
著者Podgorski, J.M, White, S.J.
登録日2022-09-02
公開日2023-02-01
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献A structural dendrogram of the actinobacteriophage major capsid proteins provides important structural insights into the evolution of capsid stability.
Structure, 31, 2023
8BP2
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BU of 8bp2 by Molmil
2.8A STRUCTURE OF ZOLIFLODACIN WITH S.AUREUS DNA GYRASE AND DNA
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (20-MER), DNA gyrase subunit A, ...
著者Bax, B.D, Morgan, H, Warren, A.J.
登録日2022-11-15
公開日2023-02-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A 2.8 angstrom Structure of Zoliflodacin in a DNA Cleavage Complex with Staphylococcus aureus DNA Gyrase.
Int J Mol Sci, 24, 2023
8ECK
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BU of 8eck by Molmil
Gordonia phage Cozz
分子名称: Major capsid protein
著者Podgorski, J.M, White, S.J.
登録日2022-09-02
公開日2023-02-01
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献A structural dendrogram of the actinobacteriophage major capsid proteins provides important structural insights into the evolution of capsid stability.
Structure, 31, 2023

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