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6TUH
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BU of 6tuh by Molmil
The PH domain of Bruton's tyrosine kinase mutant R28C
分子名称: 4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid, MAGNESIUM ION, Tyrosine-protein kinase BTK, ...
著者Brear, P, Wagstaff, J, Hyvonen, M.
登録日2020-01-07
公開日2020-11-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
To Be Published
6TVN
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BU of 6tvn by Molmil
Crystal Structure of 5-bromoindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase
分子名称: 5-bromanyl-1,3-dihydroindol-2-one, MAGNESIUM ION, Tyrosine-protein kinase BTK, ...
著者Brear, P, Wagstaff, J, Hyvonen, M.
登録日2020-01-10
公開日2020-11-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
To Be Published
7AFZ
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BU of 7afz by Molmil
L1 metallo-b-lactamase with compound EBL-1306
分子名称: 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
著者Hinchliffe, P, Spencer, J, Brem, J.
登録日2020-09-21
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Imitation of beta-lactam binding enables broad-spectrum metallo-beta-lactamase inhibitors.
Nat.Chem., 14, 2022
4Z22
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BU of 4z22 by Molmil
structure of plasmepsin II from Plasmodium Falciparum complexed with inhibitor DR718A
分子名称: 2-amino-7-phenyl-3-{[(2R,5S)-5-phenyltetrahydrofuran-2-yl]methyl}quinazolin-4(3H)-one, Plasmepsin-2
著者Recacha, R, Leitans, J, Tars, K, Jaudzems, K.
登録日2015-03-28
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Fragment-Based Discovery of 2-Aminoquinazolin-4(3H)-ones As Novel Class Nonpeptidomimetic Inhibitors of the Plasmepsins I, II, and IV.
J.Med.Chem., 59, 2016
7ZNX
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BU of 7znx by Molmil
Crystal structure of cocaprin 1, inhibitor of cysteine and aspartic proteases from Coprinopsis cinerea
分子名称: Cocaprin 1
著者Renko, M, Turk, D, Sabotic, J.
登録日2022-04-22
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Cocaprins, beta-Trefoil Fold Inhibitors of Cysteine and Aspartic Proteases from Coprinopsis cinerea.
Int J Mol Sci, 23, 2022
7AYJ
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BU of 7ayj by Molmil
Metallo beta-lactamse Vim-1 with a sulfamoyl inhibitor.
分子名称: 3-(4-fluorophenyl)-1-sulfamoyl-pyrrole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
著者Farley, A.J.M, Ermolovich, I, Calvopina, K, Rabe, P, Brem, J, Schofield, C.J.
登録日2020-11-12
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Structural Basis of Metallo-beta-lactamase Inhibition by N -Sulfamoylpyrrole-2-carboxylates.
Acs Infect Dis., 7, 2021
3G8A
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BU of 3g8a by Molmil
T. thermophilus 16S rRNA G527 methyltransferase in complex with AdoHcy in space group P61
分子名称: Ribosomal RNA small subunit methyltransferase G, S-ADENOSYL-L-HOMOCYSTEINE
著者Demirci, H, Gregory, S.T, Belardinelli, R, Gualerzi, C, Dahlberg, A.E, Jogl, G.
登録日2009-02-11
公開日2009-06-30
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and functional studies of the Thermus thermophilus 16S rRNA methyltransferase RsmG
Rna, 15, 2009
3G89
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BU of 3g89 by Molmil
T. thermophilus 16S rRNA G527 methyltransferase in complex with AdoMet and AMP in space group P61
分子名称: ADENOSINE MONOPHOSPHATE, Ribosomal RNA small subunit methyltransferase G, S-ADENOSYLMETHIONINE
著者Demirci, H, Gregory, S.T, Belardinelli, R, Gualerzi, C, Dahlberg, A.E, Jogl, G.
登録日2009-02-11
公開日2009-06-30
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and functional studies of the Thermus thermophilus 16S rRNA methyltransferase RsmG
Rna, 15, 2009
3G8B
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BU of 3g8b by Molmil
T. thermophilus 16S rRNA G527 methyltransferase in complex with AdoMet in space group I222
分子名称: Ribosomal RNA small subunit methyltransferase G, S-ADENOSYLMETHIONINE, SULFATE ION
著者Demirci, H, Gregory, S.T, Belardinelli, R, Gualerzi, C, Dahlberg, A.E, Jogl, G.
登録日2009-02-11
公開日2009-06-30
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and functional studies of the Thermus thermophilus 16S rRNA methyltransferase RsmG
Rna, 15, 2009
3G88
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BU of 3g88 by Molmil
T. thermophilus 16S rRNA G527 methyltransferase in complex with AdoMet in space group P61
分子名称: DI(HYDROXYETHYL)ETHER, Ribosomal RNA small subunit methyltransferase G, S-ADENOSYLMETHIONINE
著者Demirci, H, Belardinelli, R, Gregory, S.T, Gualerzi, C, Dahlberg, A.E, Jogl, G.
登録日2009-02-11
公開日2009-06-30
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural and functional studies of the Thermus thermophilus 16S rRNA methyltransferase RsmG
Rna, 15, 2009
7MJR
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BU of 7mjr by Molmil
Vip4Da2 toxin structure
分子名称: CALCIUM ION, SULFATE ION, Vip4Da1 protein
著者Rydel, T.J, Duda, D, Zheng, M, Henry, A.
登録日2021-04-20
公開日2021-05-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.22 Å)
主引用文献Structural and functional insights into the first Bacillus thuringiensis vegetative insecticidal protein of the Vpb4 fold, active against western corn rootworm.
Plos One, 16, 2021
6FKG
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BU of 6fkg by Molmil
Crystal structure of the M.tuberculosis MbcT-MbcA toxin-antitoxin complex.
分子名称: GLYCEROL, Rv1989c (MbcT), Rv1990c (MbcA)
著者Freire, D.M, Cianci, M, Pogenberg, V, Schneider, T.R, Wilmanns, M, Parret, A.H.A.
登録日2018-01-24
公開日2019-02-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An NAD+Phosphorylase Toxin Triggers Mycobacterium tuberculosis Cell Death.
Mol.Cell, 73, 2019
5HJB
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BU of 5hjb by Molmil
AF9 YEATS in complex with histone H3 Crotonylation at K9
分子名称: Protein AF-9, peptide of Histone H3.1
著者Li, Y.Y, Zhao, D, Guan, H.P, Li, H.T.
登録日2016-01-12
公開日2016-04-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular Coupling of Histone Crotonylation and Active Transcription by AF9 YEATS Domain
Mol.Cell, 62, 2016
5HJD
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BU of 5hjd by Molmil
AF9 YEATS in complex with histone H3 Crotonylation at K18
分子名称: COPPER (II) ION, Protein AF-9, SULFATE ION, ...
著者Li, Y.Y, Zhao, D, Guan, H.P, Li, H.T.
登録日2016-01-13
公開日2016-04-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.806 Å)
主引用文献Molecular Coupling of Histone Crotonylation and Active Transcription by AF9 YEATS Domain.
Mol.Cell, 62, 2016
5HJC
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BU of 5hjc by Molmil
BRD3 second bromodomain in complex with histone H3 acetylation at K18
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 3, CHLORIDE ION, ...
著者Li, Y.Y, Zhao, D, Guan, H.P, Li, H.T.
登録日2016-01-13
公開日2016-04-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular Coupling of Histone Crotonylation and Active Transcription by AF9 YEATS Domain
Mol.Cell, 62, 2016
5B76
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BU of 5b76 by Molmil
Crystal structure of MOZ double PHD finger domain in complex with histone H3 crotonylation at K14
分子名称: Histone H3, Histone acetyltransferase KAT6A, SULFATE ION, ...
著者Li, H, Xiong, X.
登録日2016-06-05
公開日2016-10-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.653 Å)
主引用文献Selective recognition of histone crotonylation by double PHD fingers of MOZ and DPF2
Nat.Chem.Biol., 12, 2016
5B78
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BU of 5b78 by Molmil
Crystal structure of MOZ double PHD finger mutant-S210D/N235R in complex with histone H3 crotonylation at K14
分子名称: Histone H3, Histone acetyltransferase KAT6A, ZINC ION
著者Li, H, Xiong, X.
登録日2016-06-05
公開日2016-10-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Selective recognition of histone crotonylation by double PHD fingers of MOZ and DPF2
Nat.Chem.Biol., 12, 2016
5B75
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BU of 5b75 by Molmil
Crystal structure of MOZ double PHD finger in complex with histone H3 butyrylation at K14
分子名称: Histone H3, Histone acetyltransferase KAT6A, SULFATE ION, ...
著者Li, H, Xiong, X.
登録日2016-06-05
公開日2016-10-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.704 Å)
主引用文献Selective recognition of histone crotonylation by double PHD fingers of MOZ and DPF2
Nat.Chem.Biol., 12, 2016
5B77
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BU of 5b77 by Molmil
Crystal structrue of MOZ double PHD finger in complex with histone H3 propionylation at K14
分子名称: Histone H3, Histone acetyltransferase KAT6A, SULFATE ION, ...
著者Li, H, Xiong, X.
登録日2016-06-05
公開日2016-10-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.551 Å)
主引用文献Selective recognition of histone crotonylation by double PHD fingers of MOZ and DPF2
Nat.Chem.Biol., 12, 2016
5B79
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BU of 5b79 by Molmil
Crystal structure of DPF2 double PHD finger
分子名称: ZINC ION, Zinc finger protein ubi-d4
著者Li, H, Xiong, X.
登録日2016-06-05
公開日2016-10-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Selective recognition of histone crotonylation by double PHD fingers of MOZ and DPF2
Nat.Chem.Biol., 12, 2016
7D4B
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BU of 7d4b by Molmil
Crystal structure of 4-1BB in complex with a VHH
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Wang, C.
登録日2020-09-23
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Generation of a safe and efficacious llama single-domain antibody fragment (vHH) targeting the membrane-proximal region of 4-1BB for engineering therapeutic bispecific antibodies for cancer.
J Immunother Cancer, 9, 2021
7CZD
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BU of 7czd by Molmil
Crystal structure of PD-L1 in complex with a VHH
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Programmed cell death 1 ligand 1, ...
著者Wang, C.
登録日2020-09-08
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Generation of a safe and efficacious llama single-domain antibody fragment (vHH) targeting the membrane-proximal region of 4-1BB for engineering therapeutic bispecific antibodies for cancer.
J Immunother Cancer, 9, 2021
5QUH
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BU of 5quh by Molmil
HumRadA1.2 soaked with napht-2,3-diol overnight at 2 mM
分子名称: PHOSPHATE ION, RadA, naphthalene-2,3-diol
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUD
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BU of 5qud by Molmil
HumRadA1.2 soaked with napht-2,3-diol for 5 minutes at 20 mM
分子名称: PHOSPHATE ION, RadA, naphthalene-2,3-diol
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUE
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BU of 5que by Molmil
HumRadA1.2 soaked with napht-2,3-diol for 10 minutes at 20 mM
分子名称: PHOSPHATE ION, RadA, naphthalene-2,3-diol
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published

224572

件を2024-09-04に公開中

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