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3NHR
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BU of 3nhr by Molmil
X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
分子名称: 5,6,8-trimethoxy-1,4-dimethylquinolin-2(1H)-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Sturdy, M.
登録日2010-06-14
公開日2012-01-11
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
To be Published
3O2N
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BU of 3o2n by Molmil
X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
分子名称: 5,8-dimethoxy-4-methylquinolin-2(1H)-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Sturdy, M.
登録日2010-07-22
公開日2011-08-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
To be Published
7K4M
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BU of 7k4m by Molmil
Crystal structure of MetAP2 Modified Hemoglobin S
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Musayev, F.N, Safo, M.K, Light, D.R.
登録日2020-09-15
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献MetAP2 inhibition modifies hemoglobin S to delay polymerization and improves blood flow in sickle cell disease.
Blood Adv, 5, 2021
7UFV
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BU of 7ufv by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-6766
分子名称: (3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN ATOM OR ION
著者Kimani, S, Li, A, Li, Y, Dong, A, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2022-03-23
公開日2022-05-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Nanomolar DCAF1 Small Molecule Ligands.
J.Med.Chem., 66, 2023
5BUN
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BU of 5bun by Molmil
Crystal structure of an antigenic outer membrane protein ST50 from Salmonella Typhi
分子名称: Outer membrane protein, octyl beta-D-glucopyranoside
著者Yoshimura, M, Chuankhayan, P, Lin, C.C, Chen, N.C, Yang, M.C, Fun, H.K.
登録日2015-06-04
公開日2015-12-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Crystal structure of an antigenic outer-membrane protein from Salmonella Typhi suggests a potential antigenic loop and an efflux mechanism.
Sci Rep, 5, 2015
7LWA
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BU of 7lwa by Molmil
Human Exonuclease 5 crystal structure (T88E) in complex with ssDNA and Mg
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), Exonuclease V, ...
著者Tsai, C.L, Tainer, J.A.
登録日2021-02-28
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献EXO5-DNA structure and BLM interactions direct DNA resection critical for ATR-dependent replication restart.
Mol.Cell, 81, 2021
7LW7
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BU of 7lw7 by Molmil
Human Exonuclease 5 crystal structure
分子名称: 1,2-ETHANEDIOL, Exonuclease V, GLYCEROL, ...
著者Tsai, C.L, Tainer, J.A.
登録日2021-02-27
公開日2021-07-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献EXO5-DNA structure and BLM interactions direct DNA resection critical for ATR-dependent replication restart.
Mol.Cell, 81, 2021
7LW9
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BU of 7lw9 by Molmil
Human Exonuclease 5 crystal structure in complex with ssDNA, Sm, and Na
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(*AP*TP*TP*GP*CP*TP*GP*AP*AP*GP*GP*G)-3'), ...
著者Tsai, C.L, Tainer, J.A.
登録日2021-02-28
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献EXO5-DNA structure and BLM interactions direct DNA resection critical for ATR-dependent replication restart.
Mol.Cell, 81, 2021
7LW8
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BU of 7lw8 by Molmil
Human Exonuclease 5 crystal structure in complex with a ssDNA
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), Exonuclease V, ...
著者Tsai, C.L, Tainer, J.A.
登録日2021-02-28
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献EXO5-DNA structure and BLM interactions direct DNA resection critical for ATR-dependent replication restart.
Mol.Cell, 81, 2021
5XWU
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BU of 5xwu by Molmil
Crystal structure of PTPdelta Ig1-Ig3 in complex with SALM2 LRR-Ig
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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Goto-Ito, S, Yamagata, A, Sato, Y, Fukai, S.
登録日2017-06-30
公開日2018-06-06
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.162 Å)
主引用文献Structural basis of trans-synaptic interactions between PTP delta and SALMs for inducing synapse formation.
Nat Commun, 9, 2018
5XWT
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BU of 5xwt by Molmil
Crystal structure of PTPdelta Ig1-Fn1 in complex with SALM5 LRR-Ig
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Goto-Ito, S, Yamagata, A, Sato, Y, Fukai, S.
登録日2017-06-30
公開日2018-06-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (4.178 Å)
主引用文献Structural basis of trans-synaptic interactions between PTP delta and SALMs for inducing synapse formation.
Nat Commun, 9, 2018
8B31
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BU of 8b31 by Molmil
Crystal structure of UDP-glucose pyrophosphorylase from Thermocrispum agreste DSM 44070
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, POTASSIUM ION, ...
著者Laustsen, J.U, Kumpf, A, Bento, I.
登録日2022-09-15
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure determination of a highly active UDP-glucose pyrophosphorylase from Thermocrispum agreste DSM 44070
To Be Published
8B68
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BU of 8b68 by Molmil
Crystal structure of UDP-glucose pyrophosphorylase from Thermocrispum agreste DSM 44070 in complex with UDP-glucose
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Laustsen, J.U, Bento, I.
登録日2022-09-26
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure determination of a highly active UDP-glucose pyrophosphorylase from Thermocrispum agreste DSM 44070
To Be Published
8B6D
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BU of 8b6d by Molmil
Crystal structure of UDP-glucose pyrophosphorylase from Thermocrispum agreste DSM 44070 in complex with UDP
分子名称: 1,2-ETHANEDIOL, GLYCEROL, SODIUM ION, ...
著者Laustsen, J, Kumpf, A, Bento, I.
登録日2022-09-27
公開日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure determination of a highly active UDP-glucose pyrophosphorylase from Thermocrispum agreste DSM 44070
To Be Published
5XWS
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BU of 5xws by Molmil
Crystal structure of SALM5 LRR-Ig
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine-rich repeat and fibronectin type-III domain-containing protein 5
著者Goto-Ito, S, Yamagata, A, Sato, Y, Fukai, S.
登録日2017-06-30
公開日2018-06-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.084 Å)
主引用文献Structural basis of trans-synaptic interactions between PTP delta and SALMs for inducing synapse formation.
Nat Commun, 9, 2018
6KIP
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BU of 6kip by Molmil
Crystal structure of PTPRD phosphatase domain in complex with Liprin-alpha3 tandem SAM domains
分子名称: Liprin-alpha-3, Receptor-type tyrosine-protein phosphatase delta
著者Wakita, M, Yamagata, A, Fukai, S.
登録日2019-07-19
公開日2020-02-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.911 Å)
主引用文献Structural insights into selective interaction between type IIa receptor protein tyrosine phosphatases and Liprin-alpha.
Nat Commun, 11, 2020
5XAZ
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BU of 5xaz by Molmil
Crystal structure of full length native tylp, a tetr regulator from streptomyces fradiae
分子名称: Gamma-butyrolactone receptor protein
著者Ray, S, Panjikar, S, Anand, R.
登録日2017-03-15
公開日2017-08-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Functional insights into the mode of DNA and ligand binding of the TetR family regulator TylP from Streptomyces fradiae
J. Biol. Chem., 292, 2017
5XAY
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BU of 5xay by Molmil
Crystal structure of full length tylp, a tetr regulator from streptomyces fradiae
分子名称: Gamma-butyrolactone receptor protein
著者Ray, S, Panjikar, S, Anand, R.
登録日2017-03-15
公開日2017-08-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Functional insights into the mode of DNA and ligand binding of the TetR family regulator TylP from Streptomyces fradiae
J. Biol. Chem., 292, 2017
8C6I
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BU of 8c6i by Molmil
TMEM2 ectodomain
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, CHLORIDE ION, ...
著者Hohenester, E.
登録日2023-01-11
公開日2023-02-01
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure of the transmembrane protein 2 (TMEM2) ectodomain and its apparent lack of hyaluronidase activity.
Wellcome Open Res, 8, 2023
7CEE
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BU of 7cee by Molmil
Crystal structure of mouse neuroligin-3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuroligin-3
著者Yamagata, A, Yoshida, T, Shiroshima, T, Maeda, A, Fukai, S.
登録日2020-06-23
公開日2021-02-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.763 Å)
主引用文献Canonical versus non-canonical transsynaptic signaling of neuroligin 3 tunes development of sociality in mice.
Nat Commun, 12, 2021
7CEG
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BU of 7ceg by Molmil
Crystal structure of the complex between mouse PTP delta and neuroligin-3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform C of Receptor-type tyrosine-protein phosphatase delta, Neuroligin-3
著者Yamagata, A, Yoshida, T, Shiroshima, T, Maeda, A, Fukai, S.
登録日2020-06-23
公開日2021-02-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.85 Å)
主引用文献Canonical versus non-canonical transsynaptic signaling of neuroligin 3 tunes development of sociality in mice.
Nat Commun, 12, 2021
7BBV
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BU of 7bbv by Molmil
Pectate lyase B from Verticillium dahliae
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Pectate lyase B, ...
著者Safran, J, Habrylo, O, Bouckaert, J, Pau Roblot, C, Senechal, F, Pelloux, J.
登録日2020-12-18
公開日2022-07-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献The specificity of pectate lyase VdPelB from Verticilium dahliae is highlighted by structural, dynamical and biochemical characterizations.
Int.J.Biol.Macromol., 231, 2023
7UCW
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BU of 7ucw by Molmil
Structure of mouse Decr1 in complex with 2'-5' oligoadenylate
分子名称: Decr1 protein, [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
著者Govande, A.A, Kranzusch, P.J.
登録日2022-03-17
公開日2023-03-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献RNase L-activating 2'-5' oligoadenylates bind ABCF1, ABCF3 and Decr-1.
J.Gen.Virol., 104, 2023
7Z9M
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BU of 7z9m by Molmil
E.coli gyrase holocomplex with 217 bp DNA and Albi-1 (site AA)
分子名称: 4-[[4-[[5-[[(2S)-2-[[5-[(4-cyanophenyl)carbonylamino]pyridin-2-yl]carbonylamino]-3-(1H-1,2,3-triazol-4-yl)propanoyl]amino]pyridin-2-yl]carbonylamino]-2-oxidanyl-3-propan-2-yloxy-phenyl]carbonylamino]benzoic acid, DNA (5'-D(*AP*AP*TP*CP*AP*CP*CP*CP*GP*CP*AP*CP*AP*GP*AP*TP*TP*T)-3'), DNA (5'-D(*GP*AP*TP*TP*TP*TP*AP*TP*GP*CP*CP*TP*GP*AP*TP*TP*CP*T)-3'), ...
著者Ghilarov, D, Heddle, J.G.H.
登録日2022-03-21
公開日2023-02-15
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Molecular mechanism of topoisomerase poisoning by the peptide antibiotic albicidin.
Nat Catal, 6, 2023
7Z9G
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E.coli gyrase holocomplex with 217 bp DNA and Albi-2
分子名称: 4-[[3-(2-azanylethoxy)-2-oxidanyl-4-[[5-[[(2~{S})-2-[[4-[(6-oxidanylnaphthalen-2-yl)carbonylamino]phenyl]carbonylamino]-3-(1~{H}-1,2,3-triazol-4-yl)propanoyl]amino]pyridin-2-yl]carbonylamino]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid, DNA (5'-D(*AP*AP*TP*CP*AP*CP*CP*CP*GP*CP*AP*CP*AP*GP*AP*TP*TP*T)-3'), DNA (5'-D(*GP*AP*TP*TP*TP*TP*AP*TP*GP*CP*CP*TP*GP*AP*TP*TP*CP*T)-3'), ...
著者Ghilarov, D, Heddle, J.G.H.
登録日2022-03-21
公開日2023-02-15
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Molecular mechanism of topoisomerase poisoning by the peptide antibiotic albicidin.
Nat Catal, 6, 2023

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