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5WH8
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BU of 5wh8 by Molmil
Cellulase Cel5C_n
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PENTAETHYLENE GLYCOL, ...
著者Koropatkin, N.M, Pope, P.B, Naas, A.E.
登録日2017-07-15
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献"Candidatus Paraporphyromonas polyenzymogenes" encodes multi-modular cellulases linked to the type IX secretion system.
Microbiome, 6, 2018
6ZBQ
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BU of 6zbq by Molmil
Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
分子名称: 5-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid, Dishevelled, dsh homolog 3 (Drosophila), ...
著者Roske, Y, Heinemann, U, Oschkinat, H.
登録日2020-06-09
公開日2021-06-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
J.Magn.Reson., 2021
6ZBZ
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BU of 6zbz by Molmil
Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
分子名称: 1,2-ETHANEDIOL, 2-[(3,4-dimethylphenyl)sulfonylamino]-5-fluoranyl-benzoic acid, Dishevelled, ...
著者Roske, Y, Heinemann, U, Oschkinat, H.
登録日2020-06-09
公開日2021-06-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
J.Magn.Reson., 2021
6ZC7
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BU of 6zc7 by Molmil
Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
分子名称: 5-bromanyl-2-[(phenylmethyl)sulfonylamino]benzoic acid, Dishevelled, dsh homolog 3 (Drosophila), ...
著者Roske, Y, Heinemann, U, Oschkinat, H.
登録日2020-06-09
公開日2021-06-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
J.Magn.Reson., 2021
6ZC6
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BU of 6zc6 by Molmil
Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
分子名称: 1,2-ETHANEDIOL, 5-bromanyl-2-(naphthalen-2-ylsulfonylamino)benzoic acid, Segment polarity protein dishevelled homolog DVL-3
著者Roske, Y, Heinemann, U, Oschkinat, H.
登録日2020-06-09
公開日2021-06-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
J.Magn.Reson., 2021
6ZC3
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BU of 6zc3 by Molmil
Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
分子名称: 1,2-ETHANEDIOL, 5-fluoranyl-2-(methylsulfonylamino)benzoic acid, Dishevelled, ...
著者Roske, Y, Heinemann, U, Oschkinat, H.
登録日2020-06-09
公開日2021-06-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
J.Magn.Reson., 2021
6ZC8
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BU of 6zc8 by Molmil
Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
分子名称: 2-[[3-chloranyl-4-[(1~{H}-indazol-3-ylcarbonylamino)methyl]phenyl]sulfonylamino]-5-methyl-benzoic acid, Segment polarity protein dishevelled homolog DVL-3
著者Roske, Y, Heinemann, U, Oschkinat, H.
登録日2020-06-10
公開日2021-06-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
J.Magn.Reson., 2021
6ZC4
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BU of 6zc4 by Molmil
Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
分子名称: 5-bromanyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid, Dishevelled, dsh homolog 3 (Drosophila), ...
著者Roske, Y, Heinemann, U, Oschkinat, H.
登録日2020-06-09
公開日2021-06-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
J.Magn.Reson., 2021
6PGK
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BU of 6pgk by Molmil
Membrane Protein Megahertz Crystallography at the European XFEL, Photosystem I XFEL at 2.9 A
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Fromme, R, Gisriel, C, Fromme, P.
登録日2019-06-24
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Membrane protein megahertz crystallography at the European XFEL.
Nat Commun, 10, 2019
6R2O
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BU of 6r2o by Molmil
Hemoglobin structure from serial crystallography with a 3D-printed nozzle.
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Hemoglobin subunit alpha, ...
著者Oberthuer, D, Yefanov, O, Sarrou, I.
登録日2019-03-18
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Ultracompact 3D microfluidics for time-resolved structural biology.
Nat Commun, 11, 2020
6DQL
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BU of 6dql by Molmil
Crystal structure of Regulator of Proteinase B RopB complexed with SIP
分子名称: Regulator of Proteinase B RopB, SpeB-inducing peptide (SIP)
著者Do, H, Makthal, N, VanderWal, A.R, Olsen, R.J, Musser, J.M, Kumaraswami, M.
登録日2018-06-11
公開日2019-05-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Environmental pH and peptide signaling control virulence of Streptococcus pyogenes via a quorum-sensing pathway.
Nat Commun, 10, 2019
6E1C
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BU of 6e1c by Molmil
Crystal structure of a MauG-like protein associated with microbial copper homeostasis
分子名称: CALCIUM ION, Di-heme enzyme, HEME C
著者Dassama, L.M.K, Rosenzweig, A.C.
登録日2018-07-09
公開日2019-07-17
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (2.617 Å)
主引用文献MbnH is a diheme MauG-like protein associated with microbial copper homeostasis.
J.Biol.Chem., 294, 2019
6EZ2
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BU of 6ez2 by Molmil
Human butyrylcholinesterase carbamylated.
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Brazzolotto, X, de la Mora, E, Dighe, S.N, Ross, B.P.
登録日2017-11-14
公開日2018-12-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Rivastigmine and metabolite analogues with putative Alzheimer's disease-modifying properties in a Caenorhabditis elegans model.
Commun Chem, 2019
6EYF
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BU of 6eyf by Molmil
Butyrylcolinesterase expressed in CHO cells co-crystallised with a rivastigmine analogue
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cholinesterase, GLYCEROL, ...
著者Brazzolotto, X, De la Mora, E, Dighe, S, Ross, B.
登録日2017-11-12
公開日2018-11-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Rivastigmine and metabolite analogues with putative Alzheimer's disease-modifying properties in a Caenorhabditis elegans model
Commun Chem, 2019
6CXH
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BU of 6cxh by Molmil
Crystal structure of particulate methane monooxygenase from Methylomicrobium alcaliphilum 20Z
分子名称: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, COPPER (II) ION, Particulate methane monooxygenase, ...
著者Ro, S.Y, Rosenzweig, A.C.
登録日2018-04-03
公開日2018-05-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.704 Å)
主引用文献From micelles to bicelles: Effect of the membrane on particulate methane monooxygenase activity.
J. Biol. Chem., 293, 2018
6FBL
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BU of 6fbl by Molmil
NMR Solution Structure of MINA-1(254-334)
分子名称: MINA-1
著者Michel, E, Allain, F.
登録日2017-12-19
公開日2019-01-30
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献MINA-1 and WAGO-4 are part of regulatory network coordinating germ cell death and RNAi in C. elegans.
Cell Death Differ., 26, 2019
8CLA
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BU of 8cla by Molmil
Z-SBTubA4 photoswitch bound to tubulin-DARPin D1 complex
分子名称: 2-methoxy-5-[2-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)ethyl]phenol, CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
著者Wranik, M, Bertrand, Q, Kepa, M.W, Weinert, T, Steinmetz, M, Standfuss, J.
登録日2023-02-16
公開日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free electron lasers
To Be Published
8D2P
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BU of 8d2p by Molmil
Structure of Acidothermus cellulolyticus Cas9 ternary complex (Target bound)
分子名称: CRISPR-associated endonuclease, Csn1 family, DNA target strand (5'-D(P*CP*CP*AP*GP*GP*AP*TP*CP*TP*TP*GP*CP*CP*AP*TP*CP*CP*TP*AP*CP*CP*TP*CP*T)-3'), ...
著者Rai, J, Das, A, Li, H.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.78 Å)
主引用文献Coupled catalytic states and the role of metal coordination in Cas9.
Nat Catal, 6, 2023
8D2N
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BU of 8d2n by Molmil
Structure of Acidothermus cellulolyticus Cas9 ternary complex (Pre-cleavage)
分子名称: CRISPR-associated endonuclease, Csn1 family, DNA non-target strand (5'-D(P*TP*AP*CP*AP*CP*CP*AP*AP*GP*CP*T)-3'), ...
著者Rai, J, Das, A, Li, H.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Coupled catalytic states and the role of metal coordination in Cas9.
Nat Catal, 6, 2023
8D2K
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BU of 8d2k by Molmil
Structure of Acidothermus cellulolyticus Cas9 ternary complex (Cleavage Intermediate 2)
分子名称: CRISPR-associated endonuclease, Csn1 family, DNA non-target strand (5'-D(P*AP*GP*A)-3'), ...
著者Rai, J, Das, A, Li, H.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.43 Å)
主引用文献Coupled catalytic states and the role of metal coordination in Cas9.
Nat Catal, 6, 2023
8D2O
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BU of 8d2o by Molmil
Structure of Acidothermus cellulolyticus Cas9 ternary complex (Post-cleavage 2)
分子名称: CRISPR-associated endonuclease, Csn1 family, DNA non-target strand (5'-D(P*AP*TP*AP*CP*AP*CP*CP*AP*AP*GP*CP*T)-3'), ...
著者Rai, J, Das, A, Li, H.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献Coupled catalytic states and the role of metal coordination in Cas9.
Nat Catal, 6, 2023
8D2L
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BU of 8d2l by Molmil
Structure of Acidothermus cellulolyticus Cas9 ternary complex (Cleavage Intermediate 1)
分子名称: CRISPR-associated endonuclease, Csn1 family, DNA non-target strand (5'-D(P*AP*GP*A)-3'), ...
著者Rai, J, Das, A, Li, H.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.21 Å)
主引用文献Coupled catalytic states and the role of metal coordination in Cas9.
Nat Catal, 6, 2023
8D2Q
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BU of 8d2q by Molmil
Structure of Acidothermus cellulolyticus Cas9 ternary complex (Post-cleavage 1)
分子名称: CRISPR-associated endonuclease, Csn1 family, DNA non-target strand (5'-D(P*AP*TP*AP*CP*AP*CP*CP*AP*AP*GP*CP*T)-3'), ...
著者Rai, J, Das, A, Li, H.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.58 Å)
主引用文献Coupled catalytic states and the role of metal coordination in Cas9.
Nat Catal, 6, 2023
8DZ0
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BU of 8dz0 by Molmil
Crystal Structure of SARS-CoV-2 Main protease in complex with Ensitrelvir
分子名称: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, DIMETHYL SULFOXIDE
著者Noske, G.D, Oliva, G, Godoy, A.S.
登録日2022-08-06
公開日2022-10-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease.
J.Biol.Chem., 299, 2023
8DZA
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BU of 8dza by Molmil
Crystal Structure of SARS-CoV-2 Main protease A193T mutant in complex with Nirmatrelvir
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者Noske, G.D, Oliva, G, Godoy, A.S.
登録日2022-08-06
公開日2022-10-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.961 Å)
主引用文献Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease.
J.Biol.Chem., 299, 2023

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件を2024-09-25に公開中

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