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2JZ0
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BU of 2jz0 by Molmil
DSX_short
Descriptor: Protein doublesex
Authors:Yang, Y, Zhang, W, Bayrer, J.R, Weiss, M.A.
Deposit date:2007-12-21
Release date:2008-01-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Doublesex and the Regulation of Sexual Dimorphism in Drosophila melanogaster: STRUCTURE, FUNCTION, AND MUTAGENESIS OF A FEMALE-SPECIFIC DOMAIN.
J.Biol.Chem., 283, 2008
1Z8Y
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BU of 1z8y by Molmil
Mapping the E2 Glycoprotein of Alphaviruses
Descriptor: Capsid protein C, Spike glycoprotein E1, Spike glycoprotein E2
Authors:Mukhopadhyay, S, Zhang, W, Gabler, S, Chipman, P.R, Strauss, E.G, Strauss, J.H, Baker, T.S, Kuhn, R.J, Rossmann, M.G.
Deposit date:2005-03-31
Release date:2006-02-07
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Mapping the structure and function of the E1 and E2 glycoproteins in alphaviruses.
Structure, 14, 2006
2L84
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BU of 2l84 by Molmil
Solution NMR structures of CBP bromodomain with small molecule j28
Descriptor: 5-[(E)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-2,4-dimethylbenzenesulfonic acid, CREB-binding protein
Authors:Borah, J.C, Mujtaba, S, Karakikes, I, Zeng, L, Muller, M, Patel, J, Moshkina, N, Morohashi, K, Zhang, W, Gerona-Navarro, G, Hajjar, R.J, Zhou, M.
Deposit date:2011-01-03
Release date:2011-01-19
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:A Small Molecule Binding to the Coactivator CREB-Binding Protein Blocks Apoptosis in Cardiomyocytes.
Chem.Biol., 18, 2011
2JZ1
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BU of 2jz1 by Molmil
DSX_long
Descriptor: Protein doublesex
Authors:Yang, Y, Zhang, W, Bayrer, J.R, Weiss, M.A.
Deposit date:2007-12-21
Release date:2008-01-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Doublesex and the Regulation of Sexual Dimorphism in Drosophila melanogaster: STRUCTURE, FUNCTION, AND MUTAGENESIS OF A FEMALE-SPECIFIC DOMAIN.
J.Biol.Chem., 283, 2008
2L85
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BU of 2l85 by Molmil
Solution NMR structures of CBP bromodomain with small molecule of HBS
Descriptor: 4-[(E)-(4-hydroxyphenyl)diazenyl]benzenesulfonic acid, CREB-binding protein
Authors:Borah, J.C, Mujtaba, S, Karakikes, I, Zeng, L, Muller, M, Patel, J, Moshkina, N, Morohashi, K, Zhang, W, Gerona-Navarro, G, Hajjar, R.J, Zhou, M.
Deposit date:2011-01-04
Release date:2011-01-19
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:A Small Molecule Binding to the Coactivator CREB-Binding Protein Blocks Apoptosis in Cardiomyocytes.
Chem.Biol., 18, 2011
5XKA
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BU of 5xka by Molmil
Crystal structure of M.tuberculosis PknI kinase domain
Descriptor: Serine/threonine-protein kinase PknI
Authors:Yan, Q, Jiang, D, Qian, L, Zhang, Q, Zhang, W, Zhou, W, Mi, K, Guddat, L, Yang, H, Rao, Z.
Deposit date:2017-05-06
Release date:2018-05-16
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Structural Insight into the Activation of PknI Kinase from M. tuberculosis via Dimerization of the Extracellular Sensor Domain.
Structure, 25, 2017
5MDN
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BU of 5mdn by Molmil
Structure of the family B DNA polymerase from the hyperthermophilic archaeon Pyrobaculum calidifontis
Descriptor: DNA polymerase, MAGNESIUM ION
Authors:Guo, J, Zhang, W, Coker, A.R, Wood, S.P, Cooper, J.B, Rashid, N, Akhtar, M.
Deposit date:2016-11-12
Release date:2016-12-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the family B DNA polymerase from the hyperthermophilic archaeon Pyrobaculum calidifontis.
Acta Crystallogr D Struct Biol, 73, 2017
4RVS
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BU of 4rvs by Molmil
The native structure of mycobacterial quinone oxidoreductase Rv154c.
Descriptor: Probable quinone reductase Qor (NADPH:quinone reductase) (Zeta-crystallin homolog protein)
Authors:Zhou, W.H, Zheng, Q.Q, Song, Y.L, Zhang, W, Shaw, N, Rao, Z.
Deposit date:2014-11-27
Release date:2015-06-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8464 Å)
Cite:Structural views of quinone oxidoreductase from Mycobacterium tuberculosis reveal large conformational changes induced by the co-factor.
Febs J., 282, 2015
4RVU
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BU of 4rvu by Molmil
The native structure of mycobacterial Rv1454c complexed with NADPH
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Probable quinone reductase Qor (NADPH:quinone reductase) (Zeta-crystallin homolog protein)
Authors:Zhou, W.H, Zheng, Q.Q, Song, Y.L, Zhang, W, Shaw, N, Rao, Z.
Deposit date:2014-11-27
Release date:2015-06-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7988 Å)
Cite:Structural views of quinone oxidoreductase from Mycobacterium tuberculosis reveal large conformational changes induced by the co-factor.
Febs J., 282, 2015
4NS5
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BU of 4ns5 by Molmil
Crystal structure of human BS69 Bromo-Zinc finger-PWWP
Descriptor: ZINC ION, Zinc finger MYND domain-containing protein 11
Authors:Wang, J.C, Qin, S, Li, F.D, Li, S, Zhang, W, Wu, J.H, Shi, Y.Y.
Deposit date:2013-11-28
Release date:2014-04-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of human BS69 Bromo-ZnF-PWWP reveals its role in H3K36me3 nucleosome binding.
Cell Res., 24, 2014
3HG8
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BU of 3hg8 by Molmil
Crystal Structure of 5-SMe Derivatized DNA
Descriptor: 5'-D(*GP*(UMS)P*GP*(US2)P*AP*CP*AP*C)-3'
Authors:Sheng, J, Hassan, A.E.A, Zhang, W, Huang, Z.
Deposit date:2009-05-13
Release date:2009-07-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Synthesis of Pyrimidine Modified Seleno-DNA as a Novel Approach to Antisense Candidate
Chemistryselect, 8, 2023
3HGD
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BU of 3hgd by Molmil
Crystal Structure of 2-Se-Thymidine Derivatized DNA
Descriptor: 5'-D(*GP*(UMS)P*GP*(US3)P*AP*CP*AP*C)-3'
Authors:Sheng, J, Hassan, A.E, Zhang, W, Huang, Z.
Deposit date:2009-05-13
Release date:2009-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:High fidelity of base pairing by 2-selenothymidine in DNA.
J.Am.Chem.Soc., 132, 2010
3IJK
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BU of 3ijk by Molmil
5-OMe modified DNA 8mer
Descriptor: 5'-D(*GP*(UMS)P*GP*(T5O)P*AP*CP*AP*C)-3'
Authors:Sheng, J, Zhang, W, Hassan, A.E.A, Gan, J, Huang, Z.
Deposit date:2009-08-04
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Synthesis of Pyrimidine Modified Seleno-DNA as a Novel Approach to Antisense Candidate
Chemistryselect, 8, 2023
3ITA
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BU of 3ita by Molmil
Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in acyl-enzyme complex with ampicillin
Descriptor: (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, D-alanyl-D-alanine carboxypeptidase dacC, ...
Authors:Chen, Y, Zhang, W, Shi, Q, Hesek, D, Lee, M, Mobashery, S, Shoichet, B.K.
Deposit date:2009-08-27
Release date:2009-10-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of penicillin-binding protein 6 from Escherichia coli.
J.Am.Chem.Soc., 131, 2009
3IKI
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BU of 3iki by Molmil
5-SMe-dU containing DNA octamer
Descriptor: 5'-D(*GP*(UMS)P*GP*(US2)P*AP*CP*AP*C)-3', MAGNESIUM ION
Authors:Sheng, J, Hassan, A.E.A, Zhang, W, Gan, J, Huang, Z.
Deposit date:2009-08-05
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Hydrogen bond formation between the naturally modified nucleobase and phosphate backbone.
Nucleic Acids Res., 40, 2012
3IT9
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BU of 3it9 by Molmil
Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in apo state
Descriptor: D-alanyl-D-alanine carboxypeptidase dacC, SULFATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
Authors:Chen, Y, Zhang, W, Shi, Q, Hesek, D, Lee, M, Mobashery, S, Shoichet, B.K.
Deposit date:2009-08-27
Release date:2009-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of penicillin-binding protein 6 from Escherichia coli.
J.Am.Chem.Soc., 131, 2009
3IJN
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BU of 3ijn by Molmil
5-SeMe-Cytidine modified DNA 8mer
Descriptor: 5'-D(*GP*(UMS)P*GP*TP*AP*(5SE)P*AP*C)-3'
Authors:Sheng, J, Zhang, W, Hassan, A.E.A, Gan, J, Huang, Z.
Deposit date:2009-08-04
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:5-SeMe-Cytidine modified DNA 8mer
TO BE PUBLISHED
3ITB
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BU of 3itb by Molmil
Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in complex with a substrate fragment
Descriptor: D-alanyl-D-alanine carboxypeptidase DacC, Peptidoglycan substrate (AMV)A(FGA)K(DAL)(DAL), SULFATE ION, ...
Authors:Chen, Y, Zhang, W, Shi, Q, Hesek, D, Lee, M, Mobashery, S, Shoichet, B.K.
Deposit date:2009-08-27
Release date:2009-10-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of penicillin-binding protein 6 from Escherichia coli.
J.Am.Chem.Soc., 131, 2009
5Z9Y
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BU of 5z9y by Molmil
Crystal structure of Mycobacterium tuberculosis thiazole synthase (ThiG) complexed with DXP
Descriptor: 1-DEOXY-D-XYLULOSE-5-PHOSPHATE, Thiazole synthase
Authors:Zhang, J, Zhang, B, Zhao, Y, Yang, X, Huang, M, Cui, P, Zhang, W, Li, J, Zhang, Y.
Deposit date:2018-02-05
Release date:2018-04-11
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Snapshots of catalysis: Structure of covalently bound substrate trapped in Mycobacterium tuberculosis thiazole synthase (ThiG).
Biochem. Biophys. Res. Commun., 497, 2018
3J0F
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BU of 3j0f by Molmil
Sindbis virion
Descriptor: Capsid protein, E1 envelope glycoprotein, E2 envelope glycoprotein
Authors:Tang, J, Jose, J, Zhang, W, Chipman, P, Kuhn, R.J, Baker, T.S.
Deposit date:2011-07-08
Release date:2011-10-12
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Molecular Links between the E2 Envelope Glycoprotein and Nucleocapsid Core in Sindbis Virus.
J.Mol.Biol., 414, 2011
7L97
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BU of 7l97 by Molmil
Crystal structure of STAMBPL1 in complex with an engineered binder
Descriptor: 1,2-ETHANEDIOL, AMSH-like protease, SULFATE ION, ...
Authors:Guo, Y, Dong, A, Hou, F, Li, Y, Zhang, W, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2021-01-02
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural and functional characterization of ubiquitin variant inhibitors for the JAMM-family deubiquitinases STAMBP and STAMBPL1.
J.Biol.Chem., 297, 2021
3K18
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BU of 3k18 by Molmil
Tellurium modified DNA-8mer
Descriptor: 5'-D(*GP*(UMS)P*GP*(TTI)P*AP*CP*AP*C)-3'
Authors:Sheng, J, Hassan, A.E.A, Zhang, W, Huang, Z.
Deposit date:2009-09-25
Release date:2010-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Synthesis and Structure Study of Oligonucleotides Derivatized with Tellurium Functionality
To be Published
5HCK
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BU of 5hck by Molmil
HUMAN HCK SH3 DOMAIN, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: HEMATOPOIETIC CELL KINASE
Authors:Horita, D.A, Baldisseri, D.M, Zhang, W, Altieri, A.S, Smithgall, T.E, Gmeiner, W.H, Byrd, R.A.
Deposit date:1998-03-09
Release date:1998-06-17
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of the human Hck SH3 domain and identification of its ligand binding site.
J.Mol.Biol., 278, 1998
5K0K
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BU of 5k0k by Molmil
Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2434
Descriptor: 15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]te traazacyclotetradecin-8(3H)-one, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Wang, X, Liu, J, Zhang, W, Stashko, M.A, Nichols, J, DeRyckere, D, Miley, M.J, Norris-Drouin, J, Chen, Z, Machius, M, Wood, E, Graham, D.K, Earp, H.S, Graham, K, Kireev, D, Frye, S.V.
Deposit date:2016-05-17
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.545 Å)
Cite:Design and Synthesis of Novel Macrocyclic Mer Tyrosine Kinase Inhibitors.
ACS Med Chem Lett, 7, 2016
5K0X
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BU of 5k0x by Molmil
Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2541
Descriptor: (7S)-7-amino-N-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide, CHLORIDE ION, Tyrosine-protein kinase Mer
Authors:McIver, A.L, Zhang, W, Liu, Q, Jiang, X, Stashko, M.A, Nichols, J, Miley, M.J, Norris-Drouin, J, Machius, M, DeRyckere, D, Wood, E, Graham, D.K, Earp, H.S, Kireev, D, Frye, S.V, Wang, X.
Deposit date:2016-05-17
Release date:2017-02-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.231 Å)
Cite:Discovery of Macrocyclic Pyrimidines as MerTK-Specific Inhibitors.
ChemMedChem, 12, 2017

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