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3SXB
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BU of 3sxb by Molmil
Crystal structure of ABBB+UDP+Gal with MPD as the cryoprotectant
分子名称: DI(HYDROXYETHYL)ETHER, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
著者Johal, A.R, Evans, S.V.
登録日2011-07-14
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases.
Acta Crystallogr.,Sect.D, 68, 2012
7M0K
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BU of 7m0k by Molmil
HPK1 IN COMPLEX WITH COMPOUND 1
分子名称: 4-anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1
著者Lesburg, C.A.
登録日2021-03-11
公開日2021-04-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Discovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds.
Acs Med.Chem.Lett., 12, 2021
7M0M
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BU of 7m0m by Molmil
HPK1 IN COMPLEX WITH COMPOUND 1
分子名称: 4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1
著者Lesburg, C.A.
登録日2021-03-11
公開日2021-04-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Discovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds.
Acs Med.Chem.Lett., 12, 2021
4LDJ
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BU of 4ldj by Molmil
Crystal Structure of a GDP-bound G12C Oncogenic Mutant of Human GTPase KRas
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Hunter, J.C, Gurbani, D, Chen, Z, Westover, K.D.
登録日2013-06-24
公開日2014-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献In situ selectivity profiling and crystal structure of SML-8-73-1, an active site inhibitor of oncogenic K-Ras G12C.
Proc.Natl.Acad.Sci.USA, 111, 2014
7M0L
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BU of 7m0l by Molmil
HPK1 IN COMPLEX WITH COMPOUND 1
分子名称: 4-(2-bromoanilino)-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1
著者Lesburg, C.A.
登録日2021-03-11
公開日2021-04-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Discovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds.
Acs Med.Chem.Lett., 12, 2021
7LS5
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BU of 7ls5 by Molmil
Cryo-EM structure of the Pre3-1 20S proteasome core particle
分子名称: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
著者Schnell, H.M, Walsh Jr, R.M, Rawson, S, Hanna, J.W.
登録日2021-02-17
公開日2021-04-14
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.74 Å)
主引用文献Structures of chaperone-associated assembly intermediates reveal coordinated mechanisms of proteasome biogenesis.
Nat.Struct.Mol.Biol., 28, 2021
7LS6
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BU of 7ls6 by Molmil
Cryo-EM structure of Pre-15S proteasome core particle assembly intermediate purified from Pre3-1 proteasome mutant (G34D)
分子名称: Proteasome assembly chaperone 2, Proteasome chaperone 1, Proteasome maturation factor UMP1, ...
著者Schnell, H.M, Walsh Jr, R.M, Rawson, S, Hanna, J.W.
登録日2021-02-17
公開日2021-04-14
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Structures of chaperone-associated assembly intermediates reveal coordinated mechanisms of proteasome biogenesis.
Nat.Struct.Mol.Biol., 28, 2021
7LJY
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BU of 7ljy by Molmil
Cryo-EM structure of the B dENE construct complexed with a 28-mer poly(A)
分子名称: B dENE construct, poly(A)
著者Torabi, S, Chen, Y, Zhang, K, Wang, J, DeGregorio, S, Vaidya, A, Su, Z, Pabit, S, Chiu, W, Pollack, L, Steitz, J.
登録日2021-02-01
公開日2021-04-14
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (5.6 Å)
主引用文献Structural analyses of an RNA stability element interacting with poly(A).
Proc.Natl.Acad.Sci.USA, 118, 2021
7LSX
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BU of 7lsx by Molmil
Cryo-EM structure of 13S proteasome core particle assembly intermediate purified from Pre3-1 proteasome mutant (G34D)
分子名称: Proteasome assembly chaperone 2, Proteasome chaperone 1, Proteasome maturation factor UMP1, ...
著者Schnell, H.M, Walsh Jr, R.M, Rawson, S, Hanna, J.W.
登録日2021-02-18
公開日2021-04-14
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.61 Å)
主引用文献Structures of chaperone-associated assembly intermediates reveal coordinated mechanisms of proteasome biogenesis.
Nat.Struct.Mol.Biol., 28, 2021
7LC4
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BU of 7lc4 by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with gamma-lactam YU253911
分子名称: 1-[(2S)-2-{[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid, Peptidoglycan D,D-transpeptidase FtsI
著者van den Akker, F, Kumar, V.
登録日2021-01-09
公開日2021-04-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A gamma-lactam siderophore antibiotic effective against multidrug-resistant Pseudomonas aeruginosa, Klebsiella pneumoniae, and Acinetobacter spp.
Eur.J.Med.Chem., 220, 2021
3SX7
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BU of 3sx7 by Molmil
Crystal structure of ABBA+UDP+Gal with Glycerol as the cryoprotectant
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Histo-blood group ABO system transferase, ...
著者Johal, A.R, Evans, S.V.
登録日2011-07-14
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases.
Acta Crystallogr.,Sect.D, 68, 2012
7LYT
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BU of 7lyt by Molmil
Cryo-EM structure of CasPhi-2 (Cas12j) bound to crRNA and Phosphorothioate-DNA
分子名称: CasPhi, MAGNESIUM ION, NTS-DNA*, ...
著者Pausch, P, Soczek, K, Nogales, E, Doudna, J.
登録日2021-03-08
公開日2021-08-04
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献DNA interference states of the hypercompact CRISPR-Cas Phi effector.
Nat.Struct.Mol.Biol., 28, 2021
3T38
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BU of 3t38 by Molmil
Corynebacterium glutamicum thioredoxin-dependent arsenate reductase Cg_ArsC1'
分子名称: (4S,5S)-1,2-DITHIANE-4,5-DIOL, Arsenate Reductase
著者Messens, J, Wahni, K, Dufe, T.V.
登録日2011-07-25
公開日2011-11-23
最終更新日2011-11-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Corynebacterium glutamicum survives arsenic stress with arsenate reductases coupled to two distinct redox mechanisms.
Mol.Microbiol., 82, 2011
4LTF
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BU of 4ltf by Molmil
Dehydration/Rehydration of a Nucleic Acid system containing a Polypyridyl Ruthenium Complex at 97% relative humidity(1/7)
分子名称: BARIUM ION, DNA, Ru(tap)2(dppz) complex
著者Hall, J.P, Sanchez-Weatherby, J, Cardin, C.J.
登録日2013-07-23
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Controlled Dehydration of a Ruthenium Complex-DNA Crystal Induces Reversible DNA Kinking.
J.Am.Chem.Soc., 136, 2014
4LTK
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BU of 4ltk by Molmil
Dehydration/Rehydration of a Nucleic Acid system containing a Polypyridyl Ruthenium Complex at 74% relative humidity (6/7)
分子名称: BARIUM ION, CHLORIDE ION, DNA, ...
著者Hall, J.P, Sanchez-Weatherby, J, Cardin, C.J.
登録日2013-07-23
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Controlled Dehydration of a Ruthenium Complex-DNA Crystal Induces Reversible DNA Kinking.
J.Am.Chem.Soc., 136, 2014
3SXA
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BU of 3sxa by Molmil
Crystal structure of ABBB+UDP+Gal with Glycerol as the cryoprotectant
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Histo-blood group ABO system transferase, ...
著者Johal, A.R, Evans, S.V.
登録日2011-07-14
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases.
Acta Crystallogr.,Sect.D, 68, 2012
3SXG
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BU of 3sxg by Molmil
Crystal structure of AAAA+UDP+Gal with MPD as the cryoprotectant
分子名称: DI(HYDROXYETHYL)ETHER, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
著者Johal, A.R, Evans, S.V.
登録日2011-07-14
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases.
Acta Crystallogr.,Sect.D, 68, 2012
6YWM
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BU of 6ywm by Molmil
Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with MES
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, ...
著者Ni, X, Schroeder, M, Olieric, V, Sharpe, E.M, Wojdyla, J.A, Wang, M, Knapp, S, Chaikuad, A, Structural Genomics Consortium (SGC)
登録日2020-04-29
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
Acs Med.Chem.Lett., 12, 2021
7LC9
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BU of 7lc9 by Molmil
Cryo-EM structure of the N-terminal alpha-synuclein truncation 41-140
分子名称: Alpha-synuclein
著者Xiaodan, N, Ryan, P.M, Jiansen, J, Jennifer, C.L.
登録日2021-01-10
公開日2021-09-15
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The N terminus of alpha-synuclein dictates fibril formation.
Proc.Natl.Acad.Sci.USA, 118, 2021
4M84
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BU of 4m84 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1455
分子名称: 5-amino-1-tert-butyl-3-(quinolin-2-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2013-08-12
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Potent and selective inhibitors of CDPK1 from T. gondii and C. parvum based on a 5-aminopyrazole-4-carboxamide scaffold.
ACS Med Chem Lett, 5, 2014
7LCU
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BU of 7lcu by Molmil
X-ray structure of Furin bound to BOS-318, a small molecule inhibitor
分子名称: (1-{[2-(3,5-dichlorophenyl)-6-{[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxy}pyridin-4-yl]methyl}piperidin-4-yl)acetic acid, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Campobasso, N, Reid, R.
登録日2021-01-11
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献A highly selective, cell-permeable furin inhibitor BOS-318 rescues key features of cystic fibrosis airway disease.
Cell Chem Biol, 29, 2022
4LTJ
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BU of 4ltj by Molmil
Dehydration/Rehydration of a Nucleic Acid system containing a Polypyridyl Ruthenium Complex at 97% relative humidity (5/7)
分子名称: BARIUM ION, DNA, Ru(tap)2(dppz) complex
著者Hall, J.P, Sanchez-Weatherby, J, Cardin, C.J.
登録日2013-07-23
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Controlled Dehydration of a Ruthenium Complex-DNA Crystal Induces Reversible DNA Kinking.
J.Am.Chem.Soc., 136, 2014
3QZ5
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BU of 3qz5 by Molmil
Crystal Structure of Co-type Nitrile Hydratase alpha-E168Q from Pseudomonas putida.
分子名称: COBALT (III) ION, Co-type Nitrile Hydratase alpha subunit, Co-type Nitrile Hydratase beta subunit, ...
著者Brodkin, H.R, Novak, W.R.P, Ringe, D, Petsko, G.A.
登録日2011-03-04
公開日2011-03-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Evidence of the Participation of Remote Residues in the Catalytic Activity of Co-Type Nitrile Hydratase from Pseudomonas putida.
Biochemistry, 50, 2011
7LM4
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BU of 7lm4 by Molmil
The crystal structure of the I38T mutant PA Endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988503
分子名称: 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, P.J, Jayaraman, S, Rankovic, Z, White, S.W.
登録日2021-02-05
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
3RIV
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BU of 3riv by Molmil
The Crystal Structure of Leishmania major Peroxidase
分子名称: Ascorbate peroxidase, CALCIUM ION, POTASSIUM ION, ...
著者Jasion, V.S, Li, H, Poulos, T.L.
登録日2011-04-14
公開日2011-05-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystal Structure of Leishmania major Peroxidase and Characterization of the Compound I Tryptophan Radical.
J.Biol.Chem., 286, 2011

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