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8UET
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BU of 8uet by Molmil
In-situ complex I, Deactive class02
分子名称: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ...
著者Zheng, W, Zhu, J, Zhang, K.
登録日2023-10-02
公開日2024-06-19
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献High-resolution in situ structures of mammalian respiratory supercomplexes.
Nature, 631, 2024
8UGF
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BU of 8ugf by Molmil
In-situ complex III, state III
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ...
著者Zheng, W, Zhang, K, Zhu, J.
登録日2023-10-05
公開日2024-06-19
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献High-resolution in situ structures of mammalian respiratory supercomplexes.
Nature, 631, 2024
8UEO
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BU of 8ueo by Molmil
In-situ complex I (Active-Apo)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ...
著者Zheng, W, Zhu, J, Zhang, K.
登録日2023-10-02
公開日2024-06-19
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献High-resolution in situ structures of mammalian respiratory supercomplexes.
Nature, 631, 2024
8UGG
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BU of 8ugg by Molmil
In-situ complex III, state IV
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ...
著者Zheng, W, Zhang, K, Zhu, J.
登録日2023-10-05
公開日2024-06-19
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献High-resolution in situ structures of mammalian respiratory supercomplexes.
Nature, 631, 2024
8UEW
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BU of 8uew by Molmil
In-situ complex I, Deactive class05
分子名称: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ...
著者Zheng, W, Zhu, J, Zhang, K.
登録日2023-10-02
公開日2024-06-19
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献High-resolution in situ structures of mammalian respiratory supercomplexes.
Nature, 631, 2024
8UGP
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BU of 8ugp by Molmil
In-situ structure of typeA supercomplex in respiratory chain ( local refined map focused on CI iron-sulfur cluster regions )
分子名称: IRON/SULFUR CLUSTER, NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 12, NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 6, ...
著者Zheng, W, Zhang, K, Zhu, J.
登録日2023-10-05
公開日2024-06-19
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2 Å)
主引用文献High-resolution in situ structures of mammalian respiratory supercomplexes.
Nature, 631, 2024
8UES
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BU of 8ues by Molmil
In-situ complex I, Deactive class01
分子名称: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ...
著者Zheng, W, Zhu, J, Zhang, K.
登録日2023-10-02
公開日2024-06-19
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献High-resolution in situ structures of mammalian respiratory supercomplexes.
Nature, 631, 2024
8UGJ
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BU of 8ugj by Molmil
In-situ structure of typeB supercomplex in respiratory chain (composite)
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Zheng, W, Zhang, K, Zhu, J.
登録日2023-10-05
公開日2024-06-19
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献High-resolution in situ structures of mammalian respiratory supercomplexes.
Nature, 631, 2024
8UER
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BU of 8uer by Molmil
In-situ complex I with Q10 (State-gamma)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ...
著者Zheng, W, Zhu, J, Zhang, K.
登録日2023-10-02
公開日2024-06-19
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献High-resolution in situ structures of mammalian respiratory supercomplexes.
Nature, 631, 2024
8UGK
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BU of 8ugk by Molmil
High resolution in-situ structure of complex III in respiratory supercomplex (composite)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ...
著者Zheng, W, Zhu, J, Zhang, K.
登録日2023-10-05
公開日2024-06-19
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.1 Å)
主引用文献High-resolution in situ structures of mammalian respiratory supercomplexes.
Nature, 631, 2024
8UEU
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BU of 8ueu by Molmil
In-situ complex I, Deactive class03
分子名称: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ...
著者Zheng, W, Zhu, J, Zhang, K.
登録日2023-10-02
公開日2024-06-19
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献High-resolution in situ structures of mammalian respiratory supercomplexes.
Nature, 631, 2024
7K58
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BU of 7k58 by Molmil
Structure of outer-arm dyneins bound to microtubule with microtubule binding state 1(MTBS-1)
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Dynein heavy chain, ...
著者Qinhui, R, Kai, Z.
登録日2020-09-16
公開日2021-09-29
最終更新日2021-10-20
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structures of outer-arm dynein array on microtubule doublet reveal a motor coordination mechanism.
Nat.Struct.Mol.Biol., 28, 2021
7K5B
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BU of 7k5b by Molmil
Structure of outer-arm dynein bound to microtubule doublet in microtubule binding state 2 (MTBS-2)
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Dynein heavy chain, ...
著者Rao, Q, Zhang, K.
登録日2020-09-16
公開日2021-09-29
最終更新日2021-10-20
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structures of outer-arm dynein array on microtubule doublet reveal a motor coordination mechanism.
Nat.Struct.Mol.Biol., 28, 2021
7KEK
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BU of 7kek by Molmil
Structure of the free outer-arm dynein in pre-parallel state
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Dynein alpha heavy chain, ...
著者Rao, Q, Zhang, K.
登録日2020-10-11
公開日2021-09-29
最終更新日2021-10-20
実験手法ELECTRON MICROSCOPY (8 Å)
主引用文献Structures of outer-arm dynein array on microtubule doublet reveal a motor coordination mechanism.
Nat.Struct.Mol.Biol., 28, 2021
5KWW
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BU of 5kww by Molmil
Crystal Structure of Inhibitor JNJ-53718678 In Complex with Prefusion RSV F Glycoprotein
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[[5-chloranyl-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-[2,2,2-tris(fluoranyl)ethyl]imidazo[4,5-c]pyridin-2-one, ...
著者McLellan, J.S, Battles, M.B, Arnoult, E, Roymans, D, Langedijk, J.P.
登録日2016-07-19
公開日2017-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Therapeutic efficacy of a respiratory syncytial virus fusion inhibitor.
Nat Commun, 8, 2017
8IQ8
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BU of 8iq8 by Molmil
Crystal structure of 3,4-dihydroxyphenylacetate 2,3-dioxygenase (DHPAO) from Acinetobacter baumannii
分子名称: 3,4-dihydroxyphenylacetate 2,3-dioxygenase, SODIUM ION
著者Chitnumsub, P, Maenpuen, S.
登録日2023-03-16
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and biochemical characterization of an extradiol 3,4-dihydroxyphenylacetate 2,3-dioxygenase from Acinetobacter baumannii.
Arch.Biochem.Biophys., 747, 2023
4R8M
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BU of 4r8m by Molmil
Human SIRT2 crystal structure in complex with BHJH-TM1
分子名称: BHJH-TM1 peptide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ...
著者Teng, Y.B, Hao, Q, Lin, H.N, Jing, H.
登録日2014-09-02
公開日2015-03-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Efficient Demyristoylase Activity of SIRT2 Revealed by Kinetic and Structural Studies
Sci Rep, 5, 2015
2IGK
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BU of 2igk by Molmil
Crystal structure of recombinant pyranose 2-oxidase
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Pyranose oxidase
著者Divne, C.
登録日2006-09-22
公開日2006-10-10
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for substrate binding and regioselective oxidation of monosaccharides at c3 by pyranose 2-oxidase.
J.Biol.Chem., 281, 2006
2IGO
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BU of 2igo by Molmil
Crystal structure of pyranose 2-oxidase H167A mutant with 2-fluoro-2-deoxy-D-glucose
分子名称: 2-deoxy-2-fluoro-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, Pyranose oxidase
著者Divne, C.
登録日2006-09-22
公開日2006-10-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for substrate binding and regioselective oxidation of monosaccharides at c3 by pyranose 2-oxidase.
J.Biol.Chem., 281, 2006
4TN4
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BU of 4tn4 by Molmil
Crystal structure of ternary complex of Plasmodium vivax SHMT with glycine and a novel pyrazolopyran 33G: (4S)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
分子名称: (4S)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Witschel, M.C.
登録日2014-06-03
公開日2015-03-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibitors of Plasmodial Serine Hydroxymethyltransferase (SHMT): Cocrystal Structures of Pyrazolopyrans with Potent Blood- and Liver-Stage Activities.
J.Med.Chem., 58, 2015
4TMR
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BU of 4tmr by Molmil
Crystal structure of ternary complex of Plasmodium vivax SHMT with glycine and a novel pyrazolopyran 99S: methyl 5-{3-[(4S)-6-amino-5-cyano-3-methyl-4-(propan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-5-cyanophenyl}thiophene-2-carboxylate .
分子名称: CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], Serine hydroxymethyltransferase, ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Witschel, M.C.
登録日2014-06-02
公開日2015-03-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Inhibitors of Plasmodial Serine Hydroxymethyltransferase (SHMT): Cocrystal Structures of Pyrazolopyrans with Potent Blood- and Liver-Stage Activities.
J.Med.Chem., 58, 2015
3N2S
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BU of 3n2s by Molmil
Structure of NfrA1 nitroreductase from B. subtilis
分子名称: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, NADPH-dependent nitro/flavin reductase
著者Morera, S, Gueguen-Chaignon, V, Meyer, P, Cortial, S, Ouazzani, J.
登録日2010-05-19
公開日2010-09-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献NADH oxidase activity of Bacillus subtilis nitroreductase NfrA1: insight into its biological role.
Febs Lett., 584, 2010
8SMV
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BU of 8smv by Molmil
GPR161 Gs heterotrimer
分子名称: CHOLESTEROL, G-protein coupled receptor 161, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Hoppe, N, Manglik, A, Harrison, S.
登録日2023-04-26
公開日2024-02-21
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.74 Å)
主引用文献GPR161 structure uncovers the redundant role of sterol-regulated ciliary cAMP signaling in the Hedgehog pathway.
Biorxiv, 2023
5XMR
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BU of 5xmr by Molmil
Plasmodium vivax SHMT(C346A) bound with PLP-glycine and GS395
分子名称: (4~{S})-6-azanyl-3-methyl-4-[3-[4-(phenylmethyl)sulfonylphenyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{H}-pyrano[2 ,3-c]pyrazole-5-carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F.
登録日2017-05-16
公開日2017-11-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs
Chemistry, 23, 2017
5XMP
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BU of 5xmp by Molmil
Plasmodium vivax SHMT(C346A) bound with PLP-glycine and MF057
分子名称: 4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]benzenesulfonamide, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F.
登録日2017-05-16
公開日2017-11-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs
Chemistry, 23, 2017

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