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8GXD
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BU of 8gxd by Molmil
L-LEUCINE DEHYDROGENASE FROM EXIGUOBACTERIUM SIBIRICUM
Descriptor: CALCIUM ION, GLYCEROL, Glu/Leu/Phe/Val dehydrogenase
Authors:Mu, X, Nie, Y, Wu, T, Wang, Y, Zhang, N, Yin, D, Xu, Y.
Deposit date:2022-09-19
Release date:2023-04-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Reshaping Substrate-Binding Pocket of Leucine Dehydrogenase for Bidirectionally Accessing Structurally Diverse Substrates
Acs Catalysis, 13, 2023
3BS1
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BU of 3bs1 by Molmil
Structure of the Staphylococcus aureus AgrA LytTR Domain Bound to DNA Reveals a Beta Fold with a Novel Mode of Binding
Descriptor: Accessory gene regulator protein A, DNA (5'-D(*DAP*DAP*(BRU)P*DAP*DCP*DTP*DTP*DAP*DAP*DCP*DTP*DGP*DTP*DTP*DAP*DA)-3'), DNA (5'-D(*DTP*DTP*DTP*DAP*DAP*DCP*DAP*DGP*DTP*DTP*DAP*DAP*DGP*(BRU)P*DAP*DT)-3'), ...
Authors:Sidote, D.J, Barbieri, C, Wu, T, Stock, A.M.
Deposit date:2007-12-21
Release date:2008-04-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of the Staphylococcus aureus AgrA LytTR Domain Bound to DNA Reveals a Beta Fold with an Unusual Mode of Binding.
Structure, 16, 2008
4UMQ
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BU of 4umq by Molmil
Structure of MELK in complex with inhibitors
Descriptor: 3-{5-[(3-hydroxy-5-methoxyphenyl)amino]-2-(phenylcarbamoyl)phenoxy}propan-1-aminium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE
Authors:Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M.
Deposit date:2014-05-20
Release date:2014-10-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
4UMR
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BU of 4umr by Molmil
Structure of MELK in complex with inhibitors
Descriptor: 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE
Authors:Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M.
Deposit date:2014-05-20
Release date:2014-10-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
4UMP
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BU of 4ump by Molmil
Structure of MELK in complex with inhibitors
Descriptor: 3-(isoquinolin-7-yl)prop-2-yn-1-ol, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE
Authors:Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M.
Deposit date:2014-05-20
Release date:2014-10-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
5V9U
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BU of 5v9u by Molmil
Crystal Structure of small molecule ARS-1620 covalently bound to K-Ras G12C
Descriptor: (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ...
Authors:Janes, M.R, Zhang, J, Li, L.-S, Hansen, R, Peters, U, Guo, X, Chen, Y, Babbar, A, Firdaus, S.J, Feng, J, Chen, J.H, Li, S, Brehmer, D, Darjania, L, Li, S, Long, Y.O, Thach, C, Liu, Y, Zarieh, A, Ely, T, Kucharski, J.M, Kessler, L.V, Wu, T, Wang, Y, Yao, Y, Deng, X, Zarrinkar, P, Dashyant, D, Lorenzi, M.V, Hu-Lowe, D, Patricelli, M.P, Ren, P, Liu, Y.
Deposit date:2017-03-23
Release date:2018-02-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Targeting KRAS Mutant Cancers with a Covalent G12C-Specific Inhibitor.
Cell, 172, 2018
8X91
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BU of 8x91 by Molmil
P/Q type calcium channel in complex with omega-conotoxin MVIIC
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, N, Li, Z, Cong, Y, Wu, T, Wang, T.
Deposit date:2023-11-29
Release date:2024-03-20
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Structural basis for different omega-agatoxin IVA sensitivities of the P-type and Q-type Ca v 2.1 channels.
Cell Res., 34, 2024
8X90
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BU of 8x90 by Molmil
P/Q type calcium channel
Descriptor: 1,2-DIDECANOYL-SN-GLYCERO-3-[PHOSPHO-L-SERINE], 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, N, Li, Z, Cong, Y, Wu, T, Wang, T.
Deposit date:2023-11-29
Release date:2024-03-20
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Structural basis for different omega-agatoxin IVA sensitivities of the P-type and Q-type Ca v 2.1 channels.
Cell Res., 34, 2024
8X93
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BU of 8x93 by Molmil
P/Q type calcium channel in complex with omega-Agatoxin IVA
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, N, Li, Z, Cong, Y, Wu, T, Wang, T.
Deposit date:2023-11-29
Release date:2024-03-20
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Structural basis for different omega-agatoxin IVA sensitivities of the P-type and Q-type Ca v 2.1 channels.
Cell Res., 34, 2024
4D2V
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BU of 4d2v by Molmil
Structure of MELK in complex with inhibitors
Descriptor: 7-{[2-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1H-3-benzazepinium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE
Authors:Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M.
Deposit date:2014-05-13
Release date:2014-10-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
4D2T
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BU of 4d2t by Molmil
Structure of MELK in complex with inhibitors
Descriptor: 3-[2-(phenylcarbamoyl)-5-(1H-pyrazol-4-yl)phenoxy]propan-1-aminium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE
Authors:Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M.
Deposit date:2014-05-13
Release date:2014-10-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
4D2W
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BU of 4d2w by Molmil
Structure of MELK in complex with inhibitors
Descriptor: 4-bromo-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE
Authors:Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M.
Deposit date:2014-05-13
Release date:2014-10-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
4D2P
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BU of 4d2p by Molmil
Structure of MELK in complex with inhibitors
Descriptor: 7-({4-[(3-hydroxy-5-methoxyphenyl)amino]benzoyl}amino)-1,2,3,4-tetrahydroisoquinolinium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE
Authors:Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M.
Deposit date:2014-05-12
Release date:2014-10-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
1P2F
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BU of 1p2f by Molmil
Crystal Structure Analysis of Response Regulator DrrB, a Thermotoga maritima OmpR/PhoB Homolog
Descriptor: Response Regulator
Authors:Robinson, V.L, Wu, T, Stock, A.M.
Deposit date:2003-04-15
Release date:2003-04-29
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of the domain interface in DrrB, a response regulator of the OmpR/PhoB subfamily
J.Bacteriol., 185, 2003
7XIJ
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BU of 7xij by Molmil
Crystal structure of CBP bromodomain liganded with Y08175
Descriptor: 3-[(1-ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Xiang, Q, Wang, C, Wu, T, Zhang, Y, Zhang, C, Luo, G, Wu, X, Shen, H, Xu, Y.
Deposit date:2022-04-13
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal structure of CBP bromodomain liganded with Y08175
To Be Published
7XNE
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BU of 7xne by Molmil
Crystal structure of CBP bromodomain liganded with Y08284
Descriptor: CREB-binding protein, GLYCEROL, N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoranyl-5-[(1S)-1-oxidanylethyl]phenyl]-3-ethanoyl-7-methoxy-indolizine-1-carboxamide
Authors:Xiang, Q, Wang, C, Wu, T, Zhang, C, Hu, Q, Luo, G, Hu, J, Zhuang, X, Zou, L, Shen, H, Wu, X, Zhang, Y, Kong, X, Xu, Y.
Deposit date:2022-04-28
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Design, Synthesis, and Biological Evaluation of 1-(Indolizin-3-yl)ethan-1-ones as CBP Bromodomain Inhibitors for the Treatment of Prostate Cancer.
J.Med.Chem., 65, 2022
4H86
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BU of 4h86 by Molmil
Crystal structure of Ahp1 from Saccharomyces cerevisiae in reduced form
Descriptor: Peroxiredoxin type-2
Authors:Liu, M, Wang, F, Qiu, R, Wu, T, Gu, S, Tang, R, Ji, C.
Deposit date:2012-09-21
Release date:2012-10-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:Crystal structure of Ahp1 from Saccharomyces cerevisiae in reduced form
To be Published
4GXP
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BU of 4gxp by Molmil
Chimeric Family 1 beta-glucosidase made with non-contiguous SCHEMA
Descriptor: Beta-glucosidase Chimeric protein
Authors:Smith, M.A, Romero, P.A, Wu, T, Brustad, E.M, Arnold, F.H.
Deposit date:2012-09-04
Release date:2013-01-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Chimeragenesis of distantly-related proteins by noncontiguous recombination.
Protein Sci., 22, 2013
2FOJ
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BU of 2foj by Molmil
The Crystal Structure of the N-terminal domain of HAUSP/USP7 complexed with p53 peptide 364-367
Descriptor: Ubiquitin carboxyl-terminal hydrolase 7, p53 peptide
Authors:Saridakis, V, Sheng, Y, Sarkari, F, Duan, S, Wu, T, Arrowsmith, C.H, Frappier, L.
Deposit date:2006-01-13
Release date:2006-02-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular recognition of p53 and MDM2 by USP7/HAUSP
Nat.Struct.Mol.Biol., 13, 2006
7EVJ
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BU of 7evj by Molmil
Crystal structure of CBP bromodomain liganded with 9c
Descriptor: 3-acetyl-1-((3-(1-cyclopropyl-1H-pyrazol-4-yl)-2-fluoro-5-(hydroxymethyl)phenyl)carbamoyl)indolizin-7-yl dimethylcarbamate, CREB-binding protein, GLYCEROL, ...
Authors:Xiang, Q, Wang, C, Wu, T, Zhang, Y, Zhang, C, Luo, G, Wu, X, Shen, H, Xu, Y.
Deposit date:2021-05-21
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Design, Synthesis, and Biological Evaluation of 1-(Indolizin-3-yl)ethan-1-ones as CBP Bromodomain Inhibitors for the Treatment of Prostate Cancer.
J.Med.Chem., 65, 2022
2FOP
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BU of 2fop by Molmil
The Crystal Structure of the N-terminal domain of HAUSP/USP7 complexed with mdm2 peptide 147-150
Descriptor: Ubiquitin carboxyl-terminal hydrolase 7, mdm2 peptide
Authors:Saridakis, V, Sheng, Y, Sarkari, F, Duan, S, Wu, T, Arrowsmith, C.H, Frappier, L.
Deposit date:2006-01-13
Release date:2006-02-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular recognition of p53 and MDM2 by USP7/HAUSP
Nat.Struct.Mol.Biol., 13, 2006
2FOO
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BU of 2foo by Molmil
The Crystal Structure of the N-terminal domain of HAUSP/USP7 complexed with p53 peptide 359-362
Descriptor: Ubiquitin carboxyl-terminal hydrolase 7, p53 peptide
Authors:Saridakis, V, Sheng, Y, Sarkari, F, Duan, S, Wu, T, Arrowsmith, C.H, Frappier, L.
Deposit date:2006-01-13
Release date:2006-02-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular recognition of p53 and MDM2 by USP7/HAUSP
Nat.Struct.Mol.Biol., 13, 2006
1ZH2
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BU of 1zh2 by Molmil
Crystal Structure Of The Calcium-Bound Receiver Domain Of Kdp Potassium Transport System Response Regulator KdpE
Descriptor: CALCIUM ION, KDP operon transcriptional regulatory protein kdpE
Authors:Toro-Roman, A, Wu, T, Stock, A.M.
Deposit date:2005-04-22
Release date:2005-12-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:A common dimerization interface in bacterial response regulators KdpE and TorR.
Protein Sci., 14, 2005
1ZH4
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BU of 1zh4 by Molmil
Crystal Structure Of The Mg+2/BeF3-Bound Receiver Domain Of Kdp Potassium Transport System Response Regulator KdpE
Descriptor: BERYLLIUM TRIFLUORIDE ION, KDP operon transcriptional regulatory protein kdpE, MAGNESIUM ION
Authors:Toro-Roman, A, Wu, T, Stock, A.M.
Deposit date:2005-04-22
Release date:2005-12-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A common dimerization interface in bacterial response regulators KdpE and TorR.
Protein Sci., 14, 2005
1ZGZ
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BU of 1zgz by Molmil
Crystal Structure Of The Receiver Domain Of TMAO Respiratory System Response Regulator TorR
Descriptor: GLYCEROL, SULFATE ION, TorCAD operon transcriptional regulatory protein torR
Authors:Toro-Roman, A, Wu, T, Stock, A.M.
Deposit date:2005-04-22
Release date:2005-12-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A common dimerization interface in bacterial response regulators KdpE and TorR.
Protein Sci., 14, 2005

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數據於2024-10-30公開中

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