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6FOY
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BU of 6foy by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 9
分子名称: 5-[2,3-bis(chloranyl)phenyl]furan-2-carboxylic acid, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Levy, C.W, Leys, D.
登録日2018-02-08
公開日2019-08-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6FP0
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BU of 6fp0 by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 4
分子名称: (2~{R})-2-[[(2~{R})-5-chloranyl-1-methyl-2,3-dihydroindol-2-yl]carbonylamino]-2-cyclohexyl-ethanoic acid, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Levy, C.W, Leys, D.
登録日2018-02-08
公開日2019-08-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6FOX
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BU of 6fox by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with kynurenine
分子名称: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Levy, C.W, Leys, D.
登録日2018-02-08
公開日2019-08-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
5LR0
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BU of 5lr0 by Molmil
Binding domain of Botulinum Neurotoxin DC in complex with SialylT
分子名称: Botulinum neurotoxin D/C protein, N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, ...
著者Berntsson, R.P.-A, Stenmark, P.
登録日2016-08-18
公開日2017-08-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structural basis for the unique ganglioside and cell membrane recognition mechanism of botulinum neurotoxin DC.
Nat Commun, 8, 2017
6OAP
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BU of 6oap by Molmil
Crystal structure of a dual sensor histidine kinase in the green-light absorbing Pg state
分子名称: Dual sensor histidine kinase, MAGNESIUM ION, PHYCOCYANOBILIN
著者Heewhan, S, Zhong, R, Xiaoli, Z, Sepalika, B, Xiaojing, Y.
登録日2019-03-18
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural basis of molecular logic OR in a dual-sensor histidine kinase.
Proc.Natl.Acad.Sci.USA, 116, 2019
7TLT
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BU of 7tlt by Molmil
SARS-CoV-2 Spike-derived peptide S489-497 (YFPLQSYGF) presented by HLA-A*29:02
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ...
著者Murdolo, L.D, Szeto, C, Gras, S.
登録日2022-01-18
公開日2022-10-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Ablation of CD8 + T cell recognition of an immunodominant epitope in SARS-CoV-2 Omicron variants BA.1, BA.2 and BA.3.
Nat Commun, 13, 2022
6OAQ
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BU of 6oaq by Molmil
Crystal structure of a dual sensor histidine kinase in BeF3- bound state
分子名称: BERYLLIUM TRIFLUORIDE ION, Dual sensor histidine kinase, MAGNESIUM ION, ...
著者Heewhan, S, Zhong, R, Xiaoli, Z, Sepalika, B, Xiaojing, Y.
登録日2019-03-18
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structural basis of molecular logic OR in a dual-sensor histidine kinase.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OB8
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BU of 6ob8 by Molmil
Crystal structure of a dual sensor histidine kinase in green light illuminated state
分子名称: Dual sensor histidine kinase, MAGNESIUM ION, PHYCOCYANOBILIN
著者Heewhan, S, Zhong, R, Xiaoli, Z, Sepalika, B, Xiaojing, Y.
登録日2019-03-19
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of molecular logic OR in a dual-sensor histidine kinase.
Proc.Natl.Acad.Sci.USA, 116, 2019
6FP1
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BU of 6fp1 by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 1
分子名称: 2-(6-chloranyl-5,7-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Levy, C.W, Leys, D.
登録日2018-02-08
公開日2019-08-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6FPH
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BU of 6fph by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 1h
分子名称: 6-chloranyl-5,7-dimethyl-4-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1,4-benzoxazin-3-one, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Levy, C.W, Leys, D.
登録日2018-02-09
公開日2019-08-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
8JSC
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BU of 8jsc by Molmil
Structure of the FSP1 protein from Human
分子名称: 6-HYDROXY-FLAVIN-ADENINE DINUCLEOTIDE, Ferroptosis suppressor protein 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhang, S.T, Jia, D.
登録日2023-06-19
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献FSP1 oxidizes NADPH to suppress ferroptosis.
Cell Res., 33, 2023
6OZB
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BU of 6ozb by Molmil
Crystal structure of the phycoerythrobilin-bound GAF domain from a cyanobacterial phytochrome
分子名称: PHYCOERYTHROBILIN, Two-component sensor histidine kinase
著者Heewhan, S, Xiaoli, Z, Yafang, S, Zhong, R, Wolfgang, G, Kai, H.Z, Xiaojing, Y.
登録日2019-05-15
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The interplay between chromophore and protein determines the extended excited state dynamics in a single-domain phytochrome.
Proc.Natl.Acad.Sci.USA, 117, 2020
6OZA
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BU of 6oza by Molmil
Crystal structure of the phycocyanobilin-bound GAF domain from a cyanobacterial phytochrome
分子名称: PHYCOCYANOBILIN, Two-component sensor histidine kinase
著者Heewhan, S, Xiaoli, Z, Yafang, S, Zhong, R, Wolfgang, G, Kai, H.Z, Xiaojing, Y.
登録日2019-05-15
公開日2020-05-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.002 Å)
主引用文献The interplay between chromophore and protein determines the extended excited state dynamics in a single-domain phytochrome.
Proc.Natl.Acad.Sci.USA, 117, 2020
3J9B
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BU of 3j9b by Molmil
Electron cryo-microscopy of an RNA polymerase
分子名称: Polymerase, Polymerase basic protein 2, RNA (5'-R(*UP*UP*UP*UP*UP*A)-3'), ...
著者Chang, S.H, Sun, D.P, Liang, H.H, Wang, J, Li, J, Guo, L, Wang, X.L, Guan, C.C, Boruah, B.M, Yuan, L.M, Feng, F, Yang, M.R, Wojdyla, J, Wang, J.W, Wang, M.T, Wang, H.W, Liu, Y.F.
登録日2014-12-16
公開日2015-02-18
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Cryo-EM Structure of Influenza Virus RNA Polymerase Complex at 4.3 angstrom Resolution.
Mol.Cell, 2015
6WTB
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BU of 6wtb by Molmil
Sort-Tagged Drosophila Cryptochrome
分子名称: Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION
著者Schneps, C.M, Crane, B.R.
登録日2020-05-02
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Tuning flavin environment to detect and control light-induced conformational switching in Drosophila cryptochrome.
Commun Biol, 4, 2021
5WYZ
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BU of 5wyz by Molmil
Crystal structure of human TLR8 in complex with CU-CPT9b
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(3-methyl-4-oxidanyl-phenyl)quinolin-7-ol, ...
著者Tanji, H, Ohto, U, Shimizu, T.
登録日2017-01-16
公開日2017-12-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Small-molecule inhibition of TLR8 through stabilization of its resting state
Nat. Chem. Biol., 14, 2018
6KC0
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BU of 6kc0 by Molmil
fused To-MtbCsm1 with 2ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A),CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A), MAGNESIUM ION
著者Li, T, Huo, Y, Jiang, T.
登録日2019-06-26
公開日2020-07-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.295 Å)
主引用文献Mycobacterium tuberculosis CRISPR/Cas system Csm1 holds clues to the evolutionary relationship between DNA polymerase and cyclase activity.
Int.J.Biol.Macromol., 170, 2020
8SNZ
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BU of 8snz by Molmil
X-ray Crystal Structure of FMN-bound long-chain flavodoxin from Rhodopseudomonas palustris
分子名称: FLAVIN MONONUCLEOTIDE, Flavodoxin
著者Ansari, A, Khan, S.A, Miller, A.F.
登録日2023-04-28
公開日2024-03-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structure, dynamics, and redox reactivity of an all-purpose flavodoxin.
J.Biol.Chem., 300, 2024
6KUE
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BU of 6kue by Molmil
The structure of BioZ from Agrobacterium tumefaciens
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase III
著者Ouyang, S, Hongxin, G, Sitao, Z.
登録日2019-09-01
公開日2020-09-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.992 Å)
主引用文献Biochemical and structural characterization of the BioZ enzyme engaged in bacterial biotin synthesis pathway.
Nat Commun, 12, 2021
5WYX
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BU of 5wyx by Molmil
Crystal structure of human TLR8 in complex with CU-CPT8m
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, ...
著者Tanji, H, Ohto, U, Shimizu, T.
登録日2017-01-16
公開日2017-12-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Small-molecule inhibition of TLR8 through stabilization of its resting state
Nat. Chem. Biol., 14, 2018
6KBD
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BU of 6kbd by Molmil
fused To-MtbCsm1 with 2dATP
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A),CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A), MAGNESIUM ION
著者Li, T, Huo, Y, Jiang, T.
登録日2019-06-24
公開日2020-06-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Mycobacterium tuberculosis CRISPR/Cas system Csm1 holds clues to the evolutionary relationship between DNA polymerase and cyclase activity.
Int.J.Biol.Macromol., 170, 2020
3K5D
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BU of 3k5d by Molmil
Crystal Structure of BACE-1 in complex with AHM178
分子名称: Beta-secretase 1, N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide
著者Rondeau, J.-M.
登録日2009-10-07
公開日2010-05-05
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3K5G
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BU of 3k5g by Molmil
Human bace-1 complex with bjc060
分子名称: (1R,3S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(1-methylethyl)benzyl]amino}propyl]-3-[1-methyl-1-(2-oxopiperidin-1-yl)ethyl]cyclohexanecarboxamide, Beta-secretase 1
著者Rondeau, J.-M.
登録日2009-10-07
公開日2010-05-05
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3K5F
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BU of 3k5f by Molmil
Human BACE-1 COMPLEX WITH AYH011
分子名称: (1R,3S)-3-[1-(acetylamino)-1-methylethyl]-N-[(1S,2S,4R)-1-benzyl-5-(butylamino)-2-hydroxy-4-methyl-5-oxopentyl]cyclohexanecarboxamide, Beta-secretase 1
著者Rondeau, J.-M.
登録日2009-10-07
公開日2010-05-05
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
8D0Z
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BU of 8d0z by Molmil
S728-1157 IgG in complex with SARS-CoV-2-6P-Mut7 Spike protein (focused refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, S728-1157 Fab heavy chain variable region, S728-1157 Fab light chain variable region, ...
著者Ozorowski, G, Torres, J.L, Ward, A.B.
登録日2022-05-26
公開日2023-03-22
最終更新日2023-05-03
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Site of vulnerability on SARS-CoV-2 spike induces broadly protective antibody against antigenically distinct Omicron subvariants.
J.Clin.Invest., 133, 2023

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