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5UNI
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BU of 5uni by Molmil
Critical role of water molecules for proton translocation of the membrane-bound transhydrogenase
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BENZAMIDINE, DI(HYDROXYETHYL)ETHER, ...
著者Padayatti, P.S, Leung, J.H.
登録日2017-01-30
公開日2017-05-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Critical Role of Water Molecules in Proton Translocation by the Membrane-Bound Transhydrogenase.
Structure, 25, 2017
5WRV
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BU of 5wrv by Molmil
Complex structure of human SRP72/SRP68
分子名称: ACETATE ION, GLYCEROL, SODIUM ION, ...
著者Gao, Y, Chen, Z.
登録日2016-12-04
公開日2017-06-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Human apo-SRP72 and SRP68/72 complex structures reveal the molecular basis of protein translocation
J Mol Cell Biol, 9, 2017
5WBG
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BU of 5wbg by Molmil
Crystal Structure of human Cytochrome P450 2B6 (Y226H/K262R) in complex with an analog of a drug Efavirenz
分子名称: (2R,4S)-6-chloro-4-(cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, 5-cyclohexylpentan-1-ol, ...
著者Shah, M.B, Halpert, J.R.
登録日2017-06-29
公開日2018-05-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Crystal Structure of CYP2B6 in Complex with an Efavirenz Analog.
Int J Mol Sci, 19, 2018
5WQN
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BU of 5wqn by Molmil
Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 (condition II)
分子名称: Probable dehydrogenase
著者Li, S, Wang, Y, Bartlam, M.
登録日2016-11-27
公開日2017-10-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1.
FEBS Lett., 591, 2017
5WQO
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BU of 5wqo by Molmil
Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 in complex with NADP (condition I)
分子名称: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Probable dehydrogenase, ...
著者Li, S, Wang, Y, Bartlam, M.
登録日2016-11-27
公開日2017-10-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1.
FEBS Lett., 591, 2017
5WQM
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BU of 5wqm by Molmil
Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 (condition I)
分子名称: Probable dehydrogenase, SODIUM ION
著者Li, S, Wang, Y, Bartlam, M.
登録日2016-11-27
公開日2018-07-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1.
FEBS Lett., 591, 2017
5X23
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BU of 5x23 by Molmil
Crystal structure of CYP2C9 genetic variant A477T (*30) in complex with multiple losartan molecules
分子名称: Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ...
著者Maekawa, K, Adachi, M, Shah, M.B.
登録日2017-01-30
公開日2017-10-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis of Single-Nucleotide Polymorphisms in Cytochrome P450 2C9
Biochemistry, 56, 2017
7D3T
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BU of 7d3t by Molmil
Crystal structure of OSPHR2 in complex with DNA
分子名称: DNA (5'-D(P*CP*TP*CP*GP*GP*AP*TP*AP*TP*CP*CP*TP*CP*AP*AP*G)-3'), DNA (5'-D(P*GP*CP*TP*TP*GP*AP*GP*GP*AP*TP*AP*TP*CP*CP*GP*A)-3'), Protein PHOSPHATE STARVATION RESPONSE 2
著者Guan, Z.Y, Zhang, Z.F, Liu, Z.
登録日2020-09-20
公開日2021-10-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Mechanistic insights into the regulation of plant phosphate homeostasis by the rice SPX2 - PHR2 complex.
Nat Commun, 13, 2022
5X24
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BU of 5x24 by Molmil
Crystal structure of CYP2C9 genetic variant I359L (*3) in complex with multiple losartan molecules
分子名称: Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ...
著者Maekawa, K, Adachi, M, Shah, M.B.
登録日2017-01-30
公開日2017-10-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structural Basis of Single-Nucleotide Polymorphisms in Cytochrome P450 2C9
Biochemistry, 56, 2017
5WQP
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BU of 5wqp by Molmil
Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 in complex with NADP (condition II)
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NICOTINAMIDE, PHOSPHATE ION, ...
著者Li, S, Wang, Y, Bartlam, M.
登録日2016-11-27
公開日2017-10-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1.
FEBS Lett., 591, 2017
5WRW
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BU of 5wrw by Molmil
Structure of human apo-SRP72
分子名称: SULFATE ION, Signal recognition particle subunit SRP72
著者Gao, Y, Chen, Z.
登録日2016-12-04
公開日2017-06-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Human apo-SRP72 and SRP68/72 complex structures reveal the molecular basis of protein translocation
J Mol Cell Biol, 9, 2017
8I60
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BU of 8i60 by Molmil
Crystal structure of GAS41 YEATS domain in complex with histone H3K27cr
分子名称: ALA-ARG-KCR-SER-ALA-PRO, GLYCEROL, SULFATE ION, ...
著者Konuma, T, Zhou, M.-M.
登録日2023-01-26
公開日2023-07-26
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Histone H3 lysine 27 crotonylation mediates gene transcriptional repression in chromatin.
Mol.Cell, 83, 2023
4O3R
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BU of 4o3r by Molmil
Crystal structure of human polymerase eta extending an 8-oxog dna lesion: post insertion of 8-oxog-da pair
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*A)-3'), DNA (5'-D(*CP*AP*TP*GP*(8OG)P*TP*GP*AP*CP*GP*CP*T)-3'), ...
著者Patra, A, Egli, M.
登録日2013-12-18
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Kinetics, Structure, and Mechanism of 8-Oxo-7,8-dihydro-2'-deoxyguanosine Bypass by Human DNA Polymerase eta
J.Biol.Chem., 289, 2014
4NRP
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BU of 4nrp by Molmil
Crystal structure of human ALKBH5 in complex with N-oxalylglycine
分子名称: MANGANESE (II) ION, N-OXALYLGLYCINE, RNA demethylase ALKBH5
著者Feng, C, Chen, Z, Liu, Y.
登録日2013-11-27
公開日2014-03-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of the human RNA demethylase Alkbh5 reveal basis for substrate recognition
J.Biol.Chem., 289, 2014
4OK3
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BU of 4ok3 by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 7 [[1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid]
分子名称: CALCIUM ION, Serine protease NS3, [1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid
著者Padyana, A.K.
登録日2014-01-21
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4P0O
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BU of 4p0o by Molmil
Cleaved Serpin 42Da
分子名称: Serine protease inhibitor 4, isoform B
著者Ellisdon, A.M, Whisstock, J.C.
登録日2014-02-21
公開日2014-05-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High resolution structure of cleaved Serpin 42 Da from Drosophila melanogaster.
Bmc Struct.Biol., 14, 2014
4P0F
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BU of 4p0f by Molmil
Cleaved Serpin 42Da (C 2 2 21)
分子名称: Serine protease inhibitor 4, isoform B
著者Ellisdon, A.M, Whisstock, J.C.
登録日2014-02-21
公開日2014-05-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献High resolution structure of cleaved Serpin 42 Da from Drosophila melanogaster.
Bmc Struct.Biol., 14, 2014
4OJQ
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BU of 4ojq by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Fragment 1 [(5-bromo-1H-indol-3-yl)acetic acid]
分子名称: (5-bromo-1H-indol-3-yl)acetic acid, CALCIUM ION, Serine protease NS3
著者Padyana, A.K.
登録日2014-01-21
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4OKS
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BU of 4oks by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 19 [[6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid]
分子名称: CALCIUM ION, Serine protease NS3, [6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid
著者Padyana, A.K.
登録日2014-01-22
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4Q9H
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BU of 4q9h by Molmil
P-glycoprotein at 3.4 A resolution
分子名称: Multidrug resistance protein 1A
著者McGrath, A.P, Szewczyk, P, Chang, G.
登録日2014-05-01
公開日2015-03-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein.
Acta Crystallogr.,Sect.D, 71, 2015
4Q9J
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BU of 4q9j by Molmil
P-glycoprotein cocrystallised with QZ-Val
分子名称: Multidrug resistance protein 1A, N-{[5-AMINO-1-(5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1H-IMIDAZOL-4-YL]CARBONYL}-L-ASPARTIC ACID
著者McGrath, A.P, Szewczyk, P, Chang, G.
登録日2014-05-01
公開日2015-03-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein.
Acta Crystallogr.,Sect.D, 71, 2015
4QEC
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BU of 4qec by Molmil
ElxO with NADP Bound
分子名称: ElxO, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION
著者Garg, N, Nair, S.K.
登録日2014-05-15
公開日2014-07-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Substrate Specificity of the Lanthipeptide Peptidase ElxP and the Oxidoreductase ElxO.
Acs Chem.Biol., 9, 2014
4Q9K
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BU of 4q9k by Molmil
P-glycoprotein cocrystallised with QZ-Leu
分子名称: (30F)L(30F)L(30F)L Peptide, Multidrug resistance protein 1A
著者McGrath, A.P, Szewczyk, P, Chang, G.
登録日2014-05-01
公開日2015-03-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein.
Acta Crystallogr.,Sect.D, 71, 2015
7X2K
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BU of 7x2k by Molmil
Crystal structure of nanobody Nb70 with antibody 1F11 fab and SARS-CoV-2 RBD
分子名称: 1F11-H, 1F11-L, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
登録日2022-02-25
公開日2022-12-21
最終更新日2023-06-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
7X2J
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BU of 7x2j by Molmil
Crystal structure of nanobody Nb70 with SARS-CoV RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nb70, Spike protein S1
著者Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
登録日2022-02-25
公開日2022-12-21
最終更新日2023-06-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022

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