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1FGO
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BU of 1fgo by Molmil
LIPOXYGENASE-1 (SOYBEAN) AT 100K, Q495A MUTANT
分子名称: FE (III) ION, SEED LIPOXYGENASE-1
著者Tomchick, D.R, Minor, W, Holman, T.
登録日2000-07-28
公開日2001-07-04
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structural and functional characterization of second-coordination sphere mutants of soybean lipoxygenase-1.
Biochemistry, 40, 2001
7DCP
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BU of 7dcp by Molmil
cryo-EM structure of the DEAH-box helicase Prp2 and coactivator Spp2
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PRP2 isoform 1, ...
著者Bai, R, Wan, R, Yan, C, Jia, Q, Zhang, P, Lei, J, Shi, Y.
登録日2020-10-26
公開日2021-01-06
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献Mechanism of spliceosome remodeling by the ATPase/helicase Prp2 and its coactivator Spp2.
Science, 371, 2021
7YRY
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BU of 7yry by Molmil
F1-ATPase of Acinetobacter baumannii
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
著者Saw, W.-G, Grueber, G.
登録日2022-08-11
公開日2023-06-21
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Atomic insights of an up and down conformation of the Acinetobacter baumannii F 1 -ATPase subunit epsilon and deciphering the residues critical for ATP hydrolysis inhibition and ATP synthesis.
Faseb J., 37, 2023
7DD3
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BU of 7dd3 by Molmil
Cryo-EM structure of the pre-mRNA-loaded DEAH-box ATPase/helicase Prp2 in complex with Spp2
分子名称: PRP2 isoform 1, Pre-mRNA-splicing factor SPP2, pre-mRNA
著者Bai, R, Wan, R, Yan, C, Qi, J, Zhang, P, Lei, J, Shi, Y.
登録日2020-10-27
公開日2021-01-06
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Mechanism of spliceosome remodeling by the ATPase/helicase Prp2 and its coactivator Spp2.
Science, 371, 2021
4N7M
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BU of 4n7m by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
分子名称: 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one, Caspase-6, PHOSPHATE ION
著者Murray, J.M, Steffek, M.
登録日2013-10-15
公開日2013-12-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.125 Å)
主引用文献Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
4N6G
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BU of 4n6g by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
分子名称: 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one, Caspase-6, PHOSPHATE ION
著者Murray, J.M, Steffek, M.
登録日2013-10-11
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.142 Å)
主引用文献Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
7Y5A
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BU of 7y5a by Molmil
Cryo-EM structure of the Mycolicibacterium smegmatis F1-ATPase
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ...
著者Wong, C.F, Saw, W.-G, Grueber, G.
登録日2022-06-16
公開日2022-11-23
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural Elements Involved in ATP Hydrolysis Inhibition and ATP Synthesis of Tuberculosis and Nontuberculous Mycobacterial F-ATP Synthase Decipher New Targets for Inhibitors.
Antimicrob.Agents Chemother., 66, 2022
7Y5C
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BU of 7y5c by Molmil
Cryo-EM structure of F-ATP synthase from Mycolicibacterium smegmatis (rotational state 2)
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
著者Saw, W.-G, Wong, C.F, Grueber, G.
登録日2022-06-16
公開日2022-11-23
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Structural Elements Involved in ATP Hydrolysis Inhibition and ATP Synthesis of Tuberculosis and Nontuberculous Mycobacterial F-ATP Synthase Decipher New Targets for Inhibitors.
Antimicrob.Agents Chemother., 66, 2022
7Y5B
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BU of 7y5b by Molmil
Cryo-EM structure of F-ATP synthase from Mycolicibacterium smegmatis (rotational state 1)
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
著者Saw, W.-G, Wong, C.F, Grueber, G.
登録日2022-06-16
公開日2022-11-23
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Structural Elements Involved in ATP Hydrolysis Inhibition and ATP Synthesis of Tuberculosis and Nontuberculous Mycobacterial F-ATP Synthase Decipher New Targets for Inhibitors.
Antimicrob.Agents Chemother., 66, 2022
7Y5D
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BU of 7y5d by Molmil
Cryo-EM structure of F-ATP synthase from Mycolicibacterium smegmatis (rotational state 3) (backbone)
分子名称: ATP synthase epsilon chain, ATP synthase gamma chain, ATP synthase subunit a, ...
著者Saw, W.-G, Wong, C.F, Grueber, G.
登録日2022-06-16
公開日2022-11-23
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (7.3 Å)
主引用文献Structural Elements Involved in ATP Hydrolysis Inhibition and ATP Synthesis of Tuberculosis and Nontuberculous Mycobacterial F-ATP Synthase Decipher New Targets for Inhibitors.
Antimicrob.Agents Chemother., 66, 2022
3IF5
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BU of 3if5 by Molmil
Crystal Structure Analysis of Mglu
分子名称: Salt-tolerant glutaminase
著者Yoshimune, K, Shirakihara, Y.
登録日2009-07-24
公開日2009-08-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Crystal structure of salt-tolerant glutaminase from Micrococcus luteus K-3 in the presence and absence of its product L-glutamate and its activator Tris.
Febs J., 277, 2010
7ZGX
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BU of 7zgx by Molmil
S-layer Deinoxanthin Binding Complex, C1 symmetry
分子名称: S-layer protein SlpA
著者Farci, D, Piano, D.
登録日2022-04-04
公開日2022-07-13
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献The cryo-EM structure of the S-layer deinoxanthin-binding complex of Deinococcus radiodurans informs properties of its environmental interactions.
J.Biol.Chem., 298, 2022
7ZGY
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BU of 7zgy by Molmil
S-layer Deinoxanthin Binding Complex, C3 symmetry
分子名称: (3~{S},5~{R},6~{R})-5-[(3~{S},7~{R},12~{S},16~{S},20~{S})-3,7,12,16,20,24-hexamethyl-24-oxidanyl-pentacosyl]-4,4,6-trimethyl-cyclohexane-1,3-diol, COPPER (II) ION, FE (III) ION, ...
著者Farci, D, Piano, D.
登録日2022-04-04
公開日2022-07-13
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.54 Å)
主引用文献The cryo-EM structure of the S-layer deinoxanthin-binding complex of Deinococcus radiodurans informs properties of its environmental interactions.
J.Biol.Chem., 298, 2022
2DUH
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BU of 2duh by Molmil
crystal structure of a green fluorescent protein variant S65T/H148N at pH 9.5
分子名称: Green fluorescent protein
著者Shu, X, Remington, S.J.
登録日2006-07-23
公開日2007-07-10
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Ultrafast excited-state dynamics in the green fluorescent protein variant S65T/H148D. 1. Mutagenesis and structural studies.
Biochemistry, 46, 2007
2DUE
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BU of 2due by Molmil
crystal structure of a green fluorescent protein variant S65T/H148D at pH 10
分子名称: Green fluorescent protein
著者Shu, X, Remington, S.J.
登録日2006-07-23
公開日2007-07-10
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Ultrafast excited-state dynamics in the green fluorescent protein variant S65T/H148D. 1. Mutagenesis and structural studies.
Biochemistry, 46, 2007
2DUG
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BU of 2dug by Molmil
crystal structure of a green fluorescent protein S65T/H148N at pH 5
分子名称: Green fluorescent protein
著者Shu, X, Remington, S.J.
登録日2006-07-23
公開日2007-07-10
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Ultrafast excited-state dynamics in the green fluorescent protein variant S65T/H148D. 1. Mutagenesis and structural studies.
Biochemistry, 46, 2007
4DE3
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BU of 4de3 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 4
分子名称: 3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE
著者Nichols, D.A, Chen, Y.
登録日2012-01-19
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
4DDY
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BU of 4ddy by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 10
分子名称: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
著者Nichols, D.A, Chen, Y.
登録日2012-01-19
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
4DE1
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BU of 4de1 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 18
分子名称: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-2H-indazole-5-carboxamide
著者Nichols, D.A, Chen, Y.
登録日2012-01-19
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
4BJH
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BU of 4bjh by Molmil
Crystal Structure of the Aquifex Reactor Complex Formed by Dihydroorotase (H180A, H232A) with Dihydroorotate and Aspartate Transcarbamoylase with N-(phosphonacetyl)-L-aspartate (PALA)
分子名称: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 1,2-ETHANEDIOL, ASPARTATE CARBAMOYLTRANSFERASE, ...
著者Edwards, B.F.P, Martin, P.D, Grimley, E, Vaishnav, A, Fernando, R, Brunzelle, J.S, Cordes, M, Evans, H.G, Evans, D.R.
登録日2013-04-18
公開日2013-12-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Mononuclear Metal Center of Type-I Dihydroorotase from Aquifex Aeolicus.
Bmc Biochem., 14, 2013
4DE2
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BU of 4de2 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 12
分子名称: 3-[(dimethylamino)methyl]-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE
著者Nichols, D.A, Chen, Y.
登録日2012-01-19
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
7JYM
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BU of 7jym by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC SULFONE INVERSE AGONIST
分子名称: (3R,5S)-3-fluoro-5-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1
著者Sack, J.
登録日2020-08-31
公開日2020-11-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.051 Å)
主引用文献Novel Tricyclic Pyroglutamide Derivatives as Potent ROR gamma t Inverse Agonists Identified using a Virtual Screening Approach.
Acs Med.Chem.Lett., 11, 2020
7KQJ
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BU of 7kqj by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692) IN COMPLEX WITH A NOVEL TRICYCLIC-CARBOCYLIC RORGT INVERSE AGONIST
分子名称: N-[(3R,3aS,9bS)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-hydroxy-2-methylpropanamide, Nuclear receptor ROR-gamma
著者Sack, J.S.
登録日2020-11-16
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.645 Å)
主引用文献Tricyclic-Carbocyclic ROR gamma t Inverse Agonists-Discovery of BMS-986313.
J.Med.Chem., 64, 2021
4EW9
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BU of 4ew9 by Molmil
The liganded structure of C. bescii family 3 pectate lyase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-deoxy-beta-L-threo-hex-4-enopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid, ACETATE ION, ...
著者Alahuhta, P.M, Lunin, V.V.
登録日2012-04-26
公開日2013-03-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The structure and mode of action of Caldicellulosiruptor bescii family 3 pectate lyase in biomass deconstruction.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
4R51
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BU of 4r51 by Molmil
Crystal complex structure of sp-Aspartate-Semialdehyde-Dehydrogenase with Nicotinamide Adenine dinucleotide phosphate and phthalic acid
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Aspartate-semialdehyde dehydrogenase, ...
著者Pavlovsky, A.G, Viola, R.E.
登録日2014-08-20
公開日2014-12-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014

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