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3KF4
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BU of 3kf4 by Molmil
Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template
Descriptor: N-[4-(dimethylphosphoryl)phenyl]-9-[(E)-2-(5-methyl-1H-indazol-4-yl)ethenyl]-9H-purin-6-amine, Tyrosine-protein kinase ABL1
Authors:Zhou, T.
Deposit date:2009-10-27
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template.
Chem.Biol.Drug Des., 75, 2010
3KFA
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BU of 3kfa by Molmil
Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template
Descriptor: 3-{(E)-2-[6-(cyclopropylamino)-9H-purin-9-yl]ethenyl}-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide, Tyrosine-protein kinase ABL1
Authors:Zhou, T.
Deposit date:2009-10-27
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template.
Chem.Biol.Drug Des., 75, 2010
4LSU
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BU of 4lsu by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC-PG20 in complex with HIV-1 clade A/E 93TH057 gp120
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Zhou, T, Moquin, S, Kwong, P.D.
Deposit date:2013-07-23
Release date:2013-08-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013
2ADG
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BU of 2adg by Molmil
Crystal structure of monoclonal anti-CD4 antibody Q425
Descriptor: Q425 Fab Light chain, Q425 Fab heavy chain
Authors:Zhou, T, Hamer, D.H, Hendrickson, W.A, Sattentau, Q.J, Kwong, P.D.
Deposit date:2005-07-20
Release date:2005-09-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Interfacial metal and antibody recognition.
Proc.Natl.Acad.Sci.Usa, 102, 2005
2ADJ
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BU of 2adj by Molmil
Crystal structure of monoclonal anti-CD4 antibody Q425 in complex with Calcium
Descriptor: CALCIUM ION, Q425 Fab Heavy chain, Q425 Fab Light chain
Authors:Zhou, T, Hamer, D.H, Hendrickson, W.A, Sattentau, Q.J, Kwong, P.D.
Deposit date:2005-07-20
Release date:2005-09-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Interfacial metal and antibody recognition.
Proc.Natl.Acad.Sci.Usa, 102, 2005
4YDI
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BU of 4ydi by Molmil
Crystal structure of broad and potently neutralizing VRC01-class antibody Z258-VRC27.01, isolated from human donor Z258, in complex with HIV-1 gp120 from clade A strain Q23.17
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
Authors:Zhou, T, Srivatsan, S, Kwong, P.D.
Deposit date:2015-02-22
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.452 Å)
Cite:Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors.
Cell, 161, 2015
1F48
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BU of 1f48 by Molmil
CRYSTAL STRUCTURE OF THE ESCHERICHIA COLI ARSENITE-TRANSLOCATING ATPASE
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ANTIMONY (III) ION, ARSENITE-TRANSLOCATING ATPASE, ...
Authors:Zhou, T, Radaev, S, Rosen, B.P, Gatti, D.L.
Deposit date:2000-06-07
Release date:2000-09-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the ArsA ATPase: the catalytic subunit of a heavy metal resistance pump.
EMBO J., 19, 2000
1FWK
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BU of 1fwk by Molmil
CRYSTAL STRUCTURE OF HOMOSERINE KINASE COMPLEXED WITH ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, HOMOSERINE KINASE, MAGNESIUM ION
Authors:Zhou, T, Daugherty, M, Grishin, N.V, Osterman, A.L, Zhang, H.
Deposit date:2000-09-22
Release date:2000-12-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and mechanism of homoserine kinase: prototype for the GHMP kinase superfamily.
Structure Fold.Des., 8, 2000
1FWL
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BU of 1fwl by Molmil
CRYSTAL STRUCTURE OF HOMOSERINE KINASE
Descriptor: HOMOSERINE KINASE
Authors:Zhou, T, Daugherty, M, Grishin, N.V, Osterman, A.L, Zhang, H.
Deposit date:2000-09-22
Release date:2000-12-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure and mechanism of homoserine kinase: prototype for the GHMP kinase superfamily.
Structure Fold.Des., 8, 2000
1U5Q
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BU of 1u5q by Molmil
Crystal Structure of the TAO2 Kinase Domain: Activation and Specifity of a Ste20p MAP3K
Descriptor: CALCIUM ION, serine/threonine protein kinase TAO2
Authors:Zhou, T, Raman, M, Gao, Y, Earnest, S, Chen, Z, Machius, M, Cobb, M.H, Goldsmith, E.J.
Deposit date:2004-07-28
Release date:2004-10-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the TAO2 Kinase Domain; Activation and Specificity of a Ste20p MAP3K.
STRUCTURE, 12, 2004
1U5R
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BU of 1u5r by Molmil
Crystal Structure of the TAO2 Kinase Domain: Activation and Specifity of a Ste20p MAP3K
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ...
Authors:Zhou, T, Raman, M, Gao, Y, Earnest, S, Chen, Z, Machius, M, Cobb, M.H, Goldsmith, E.J.
Deposit date:2004-07-28
Release date:2004-10-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the TAO2 Kinase Domain; Activation and Specificity of a Ste20p MAP3K.
Structure, 12, 2004
2QOH
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BU of 2qoh by Molmil
Crystal Structure of Abl kinase bound with PPY-A
Descriptor: 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE, Proto-oncogene tyrosine-protein kinase ABL1
Authors:Zhou, T, Dalgarno, D, Zhu, X.
Deposit date:2007-07-20
Release date:2007-09-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of the T315I Mutant of Abl Kinase
Chem.Biol.Drug Des., 70, 2007
1IHU
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BU of 1ihu by Molmil
CRYSTAL STRUCTURE OF THE ESCHERICHIA COLI ARSENITE-TRANSLOCATING ATPASE IN COMPLEX WITH MG-ADP-ALF3
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, ARSENICAL PUMP-DRIVING ATPASE, ...
Authors:Zhou, T, Radaev, S, Rosen, B.P, Gatti, D.L.
Deposit date:2001-04-20
Release date:2001-09-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Conformational changes in four regions of the Escherichia coli ArsA ATPase link ATP hydrolysis to ion translocation.
J.Biol.Chem., 276, 2001
1II9
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BU of 1ii9 by Molmil
CRYSTAL STRUCTURE OF THE ESCHERICHIA COLI ARSENITE-TRANSLOCATING ATPASE IN COMPLEX WITH AMP-PNP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ARSENICAL PUMP-DRIVING ATPASE, CADMIUM ION, ...
Authors:Zhou, T, Radaev, S, Gatti, D.L, Rosen, B.P.
Deposit date:2001-04-21
Release date:2001-09-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Conformational changes in four regions of the Escherichia coli ArsA ATPase link ATP hydrolysis to ion translocation.
J.Biol.Chem., 276, 2001
1II0
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BU of 1ii0 by Molmil
CRYSTAL STRUCTURE OF THE ESCHERICHIA COLI ARSENITE-TRANSLOCATING ATPASE
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ARSENICAL PUMP-DRIVING ATPASE, ...
Authors:Zhou, T, Radaev, S, Rosen, B.P, Gatti, D.L.
Deposit date:2001-04-20
Release date:2001-09-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Conformational changes in four regions of the Escherichia coli ArsA ATPase link ATP hydrolysis to ion translocation.
J.Biol.Chem., 276, 2001
1KQN
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BU of 1kqn by Molmil
Crystal structure of NMN/NaMN adenylyltransferase complexed with NAD
Descriptor: NICOTINAMIDE MONONUCLEOTIDE ADENYLYL TRANSFERASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, XENON
Authors:Zhou, T, Kurnasov, O, Tomchick, D.R, Binns, D.D, Grishin, N.V, Marquez, V.E, Osterman, A.L, Zhang, H.
Deposit date:2002-01-07
Release date:2003-01-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of Human Nicotinamide/Nicotonic Acid Mononucleotide Adenylyltransferase. Basis for the dual substrate specificity and activation of the oncolytic agent tiazofurin.
J.Biol.Chem., 277, 2003
1KR2
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BU of 1kr2 by Molmil
CRYSTAL STRUCTURE OF HUMAN NMN/NAMN ADENYLYL TRANSFERASE COMPLEXED WITH TIAZOFURIN ADENINE DINUCLEOTIDE (TAD)
Descriptor: BETA-METHYLENE-THIAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE, NICOTINAMIDE MONONUCLEOTIDE ADENYLYL TRANSFERASE
Authors:Zhou, T, Kurnasov, O, Tomchick, D.R, Binns, D.D, Grishin, N.V, Marquez, V.E, Osterman, A.L, Zhang, H.
Deposit date:2002-01-08
Release date:2003-01-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of Hhuman of Nicotinamide/Nicotinic Acid Mononucleotide Adenylyltransferase. Basis for the dual substrate specificity and activation of the oncolytic agent tiazofurin.
J.Biol.Chem., 277, 2002
1KQO
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BU of 1kqo by Molmil
Crystal structure of NMN/NaMN adenylyltransferase complexed with deamido-NAD
Descriptor: NICOTINAMIDE MONONUCLEOTIDE ADENYLYL TRANSFERASE, NICOTINIC ACID ADENINE DINUCLEOTIDE
Authors:Zhou, T, Kurnasov, O, Tomchick, D.R, Binns, D.D, Grishin, N.V, Marquez, V.E, Osterman, A.L, Zhang, H.
Deposit date:2002-01-07
Release date:2003-01-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of Hhuman of Nicotinamide/Nicotinic Acid Mononucleotide Adenylyltransferase. Basis for the dual substrate specificity and activation of the oncolytic agent tiazofurin.
J.Biol.Chem., 277, 2002
3OY3
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BU of 3oy3 by Molmil
Crystal structure of ABL T315I mutant kinase domain bound with a DFG-out inhibitor AP24589
Descriptor: 5-[(5-{[4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-3-(trifluoromethyl)phenyl]carbamoyl}-2-methylphenyl)ethynyl]-1-methyl-1H-imidazole-2-carboxamide, Tyrosine-protein kinase ABL1
Authors:Zhou, T, Commodore, L, Huang, W.S, Wang, Y, Thomas, M, Keats, J, Xu, Q, Rivera, V, Shakespeare, W.C, Clackson, T, Dalgarno, D.C, Zhu, X.
Deposit date:2010-09-22
Release date:2010-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Mechanism of the Pan-BCR-ABL Inhibitor Ponatinib (AP24534): Lessons for Overcoming Kinase Inhibitor Resistance.
Chem.Biol.Drug Des., 77, 2011
3OXZ
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BU of 3oxz by Molmil
Crystal structure of ABL kinase domain bound with a DFG-out inhibitor AP24534
Descriptor: 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Tyrosine-protein kinase ABL1
Authors:Zhou, T, Huang, W.S, Wang, Y, Thomas, M, Keats, J, Xu, Q, Rivera, V, Shakespeare, W.C, Clackson, T, Dalgarno, D.C, Zhu, X.
Deposit date:2010-09-22
Release date:2010-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Mechanism of the Pan-BCR-ABL Inhibitor Ponatinib (AP24534): Lessons for Overcoming Kinase Inhibitor Resistance.
Chem.Biol.Drug Des., 77, 2011
2NY5
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BU of 2ny5 by Molmil
HIV-1 gp120 Envelope Glycoprotein (M95W, W96C, I109C, T257S, V275C, S334A, S375W, Q428C, A433M) Complexed with CD4 and Antibody 17b
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, HEAVY CHAIN, ...
Authors:Zhou, T, Xu, L, Dey, B, Hessell, A.J, Van Ryk, D, Xiang, S.H, Yang, X, Zhang, M.Y, Zwick, M.B, Arthos, J, Burton, D.R, Dimitrov, D.S, Sodroski, J, Wyatt, R, Nabel, G.J, Kwong, P.D.
Deposit date:2006-11-20
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural definition of a conserved neutralization epitope on HIV-1 gp120.
Nature, 445, 2007
2NXZ
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BU of 2nxz by Molmil
HIV-1 gp120 Envelope Glycoprotein (T257S, S334A, S375W) Complexed with CD4 and Antibody 17b
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, ...
Authors:Zhou, T, Xu, L, Dey, B, Hessell, A.J, Van Ryk, D, Xiang, S.H, Yang, X, Zhang, M.Y, Zwick, M.B, Arthos, J, Burton, D.R, Dimitrov, D.S, Sodroski, J, Wyatt, R, Nabel, G.J, Kwong, P.D.
Deposit date:2006-11-20
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural definition of a conserved neutralization epitope on HIV-1 gp120.
Nature, 445, 2007
2NY6
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BU of 2ny6 by Molmil
HIV-1 gp120 Envelope Glycoprotein (M95W, W96C, I109C, T123C, T257S, V275C,S334A, S375W, Q428C, G431C) Complexed with CD4 and Antibody 17b
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, HEAVY CHAIN, ...
Authors:Zhou, T, Xu, L, Dey, B, Hessell, A.J, Van Ryk, D, Xiang, S.H, Yang, X, Zhang, M.Y, Zwick, M.B, Arthos, J, Burton, D.R, Dimitrov, D.S, Sodroski, J, Wyatt, R, Nabel, G.J, Kwong, P.D.
Deposit date:2006-11-20
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural definition of a conserved neutralization epitope on HIV-1 gp120.
Nature, 445, 2007
2NY7
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BU of 2ny7 by Molmil
HIV-1 gp120 Envelope Glycoprotein Complexed with the Broadly Neutralizing CD4-Binding-Site Antibody b12
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY b12, HEAVY CHAIN, ...
Authors:Zhou, T, Xu, L, Dey, B, Hessell, A.J, Van Ryk, D, Xiang, S.H, Yang, X, Zhang, M.Y, Zwick, M.B, Arthos, J, Burton, D.R, Dimitrov, D.S, Sodroski, J, Wyatt, R, Nabel, G.J, Kwong, P.D.
Deposit date:2006-11-20
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural definition of a conserved neutralization epitope on HIV-1 gp120.
Nature, 445, 2007
2NY2
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BU of 2ny2 by Molmil
HIV-1 gp120 Envelope Glycoprotein (T123C, T257S, S334A, S375W, G431C) Complexed with CD4 and Antibody 17b
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, ...
Authors:Zhou, T, Xu, L, Dey, B, Hessell, A.J, Van Ryk, D, Xiang, S.H, Yang, X, Zhang, M.Y, Zwick, M.B, Arthos, J, Burton, D.R, Dimitrov, D.S, Sodroski, J, Wyatt, R, Nabel, G.J, Kwong, P.D.
Deposit date:2006-11-20
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural definition of a conserved neutralization epitope on HIV-1 gp120.
Nature, 445, 2007

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