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2G35
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BU of 2g35 by Molmil
NMR structure of talin-PTB in complex with PIPKI
Descriptor: Talin-1, peptide
Authors:Kong, X, Wang, X, Misra, S, Qin, J.
Deposit date:2006-02-17
Release date:2006-05-02
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Structural Basis for the Phosphorylation-regulated Focal Adhesion Targeting of Type Igamma Phosphatidylinositol Phosphate Kinase (PIPKIgamma) by Talin.
J.Mol.Biol., 359, 2006
6W73
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BU of 6w73 by Molmil
Fab Structure of CD4 Binding Site (CD4bs) Huamn Monoclonal Antibody HmAb64
Descriptor: CALCIUM ION, HmAb64 fab heavy chain, HmAb64 fab light chain
Authors:Kong, X, Pan, R.
Deposit date:2020-03-18
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A CD4 Binding Site (CD4bs) Monoclonal Antibody Elicited from A Human Volunteer Immunized by a DNA Prime/Protein Boost gp120 HIV Vaccine
To Be Published
1S4X
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BU of 1s4x by Molmil
NMR Structure of the integrin B3 cytoplasmic domain in DPC micelles
Descriptor: Integrin beta-3
Authors:Vinogradova, O, Vaynberg, J, Kong, X, Haas, T.A, Plow, E.F, Qin, J.
Deposit date:2004-01-19
Release date:2004-03-09
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Membrane-mediated structural transitions at the cytoplasmic face during integrin activation.
Proc.Natl.Acad.Sci.USA, 101, 2004
1S4W
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BU of 1s4w by Molmil
NMR structure of the cytoplasmic domain of integrin AIIb in DPC micelles
Descriptor: Integrin alpha-IIb
Authors:Vinogradova, O, Vaynberg, J, Kong, X, Haas, T.A, Plow, E.F, Qin, J.
Deposit date:2004-01-19
Release date:2004-03-09
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Membrane-mediated structural transitions at the cytoplasmic face during integrin activation.
Proc.Natl.Acad.Sci.USA, 101, 2004
3QPD
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BU of 3qpd by Molmil
Structure of Aspergillus oryzae cutinase expressed in Pichia pastoris, crystallized in the presence of Paraoxon
Descriptor: Cutinase 1
Authors:Lu, A, Gosser, Y, Montclare, J.K, Liu, Z, Kong, X.
Deposit date:2011-02-11
Release date:2012-02-29
Method:X-RAY DIFFRACTION (1.571 Å)
Cite:Structure of Aspergillus oryzae cutinase expressed in Pichia pastoris, crystallized in the presence of Paraoxon
To be Published
3QPA
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BU of 3qpa by Molmil
Structure of Fusarium Solani Cutinase expressed in Pichia pastoris
Descriptor: Cutinase
Authors:Lu, A, Gosser, Y, Montclare, J.K, Liu, Z, Kong, X.
Deposit date:2011-02-11
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Structure of Fusarium Solani Cutinase expressed in Pichia pastoris
To be Published
3QPC
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BU of 3qpc by Molmil
Structure of Fusarium Solani Cutinase expressed in Pichia pastoris, crystallized in the presence of Paraoxon
Descriptor: Cutinase
Authors:Lu, A, Gosser, Y, Montclare, J.K, Liu, Z, Kong, X.
Deposit date:2011-02-11
Release date:2012-02-29
Method:X-RAY DIFFRACTION (0.978 Å)
Cite:Structure of Fusarium Solani Cutinase expressed in Pichia pastoris
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
6CEZ
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BU of 6cez by Molmil
Crystal Structure of Rabbit Anti-HIV-1 gp120 V2 Fab 16C2 in complex with V2 peptide ConB
Descriptor: HIV-1 gp120 V2 Peptide Con B, Heavy chain of Fab fragment of rabbit anti-HIV1 gp120 V2 mAb 16C2, Light chain of Fab fragment of rabbit anti-HIV1 gp120 V2 mAb 16C2
Authors:Kong, X, Pan, R.
Deposit date:2018-02-13
Release date:2018-09-12
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Select gp120 V2 domain specific antibodies derived from HIV and SIV infection and vaccination inhibit gp120 binding to alpha 4 beta 7.
PLoS Pathog., 14, 2018
1A7G
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BU of 1a7g by Molmil
THE CRYSTAL STRUCTURE OF THE E2 DNA-BINDING DOMAIN FROM HUMAN PAPILLOMAVIRUS AT 2.4 ANGSTROMS
Descriptor: REGULATORY PROTEIN E2, SULFATE ION
Authors:Bussiere, D.E, Giranda, V.L.
Deposit date:1998-03-13
Release date:1999-04-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the E2 DNA-binding domain from human papillomavirus serotype 31 at 2.4 A.
Acta Crystallogr.,Sect.D, 54, 1998
6U34
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BU of 6u34 by Molmil
Binary complex of native hAChE with oxime reactivator RS194B
Descriptor: (2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide, Acetylcholinesterase, GLYCEROL, ...
Authors:Kovalevsky, A, Gerlits, O, Radic, Z.
Deposit date:2019-08-21
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase.
J.Biol.Chem., 295, 2020
6VU2
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BU of 6vu2 by Molmil
M1214_N1 Fab structure
Descriptor: M1214 N1 Fab heavy chain, M1214 N1 Fab light chain
Authors:Pan, R, Kong, X.
Deposit date:2020-02-14
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:VSV-Displayed HIV-1 Envelope Identifies Broadly Neutralizing Antibodies Class-Switched to IgG and IgA.
Cell Host Microbe, 27, 2020
4EMP
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BU of 4emp by Molmil
Crystal structure of the mutant of ClpP E137A from Staphylococcus aureus
Descriptor: ATP-dependent Clp protease proteolytic subunit
Authors:Ye, F, Zhang, J, Liu, H, Luo, C, Yang, C.-G.
Deposit date:2012-04-12
Release date:2013-04-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Helix unfolding/refolding characterizes the functional dynamics of Staphylococcus aureus Clp protease
J.Biol.Chem., 288, 2013
1EXZ
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BU of 1exz by Molmil
STRUCTURE OF STEM CELL FACTOR
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, SAMARIUM (III) ION, ...
Authors:Zhang, Z, Zhang, R, Joachimiak, A, Schlessinger, J, Kong, X.
Deposit date:2000-05-05
Release date:2000-07-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of human stem cell factor: implication for stem cell factor receptor dimerization and activation.
Proc.Natl.Acad.Sci.USA, 97, 2000
6O5V
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BU of 6o5v by Molmil
Binary complex of native hAChE with oxime reactivator RS-170B
Descriptor: 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, GLYCEROL, ...
Authors:Gerlits, O, Kovalevsky, A, Radic, Z.
Deposit date:2019-03-04
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.152 Å)
Cite:Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase.
J.Biol.Chem., 294, 2019
6O66
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BU of 6o66 by Molmil
Structure of VX-phosphonylated hAChE in complex with oxime reactivator RS-170B
Descriptor: 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, GLYCEROL
Authors:Gerlits, O, Kovalevsky, A, Radic, Z.
Deposit date:2019-03-05
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.452 Å)
Cite:Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase.
J.Biol.Chem., 294, 2019
6O5R
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BU of 6o5r by Molmil
Room temperature structure of binary complex of native hAChE with oxime reactivator RS-170B
Descriptor: 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, CHLORIDE ION
Authors:Gerlits, O, Kovalevsky, A, Radic, Z.
Deposit date:2019-03-04
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase.
J.Biol.Chem., 294, 2019
6O5S
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BU of 6o5s by Molmil
Room temperature structure of VX-phosphonylated hAChE in complex with oxime reactivator RS-170B
Descriptor: 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, O-ETHYLMETHYLPHOSPHONIC ACID ESTER GROUP
Authors:Gerlits, O, Kovalevsky, A, Radic, Z.
Deposit date:2019-03-04
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase.
J.Biol.Chem., 294, 2019
6U37
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BU of 6u37 by Molmil
Structure of VX-phosphonylated hAChE in complex with oxime reactivator RS194B
Descriptor: (2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide, Acetylcholinesterase, GLYCEROL, ...
Authors:Kovalevsky, A, Gerlits, O, Radic, Z.
Deposit date:2019-08-21
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase.
J.Biol.Chem., 295, 2020
6U3P
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BU of 6u3p by Molmil
Binary complex of native hAChE with oxime reactivator LG-703
Descriptor: (2E,2'E)-N,N'-[1,4-diazepane-1,4-diyldi(ethane-2,1-diyl)]bis[2-(hydroxyimino)acetamide], Acetylcholinesterase, DIMETHYL SULFOXIDE
Authors:Kovalevsky, A, Gerlits, O, Radic, Z.
Deposit date:2019-08-22
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase.
J.Biol.Chem., 295, 2020
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
3GBS
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BU of 3gbs by Molmil
Crystal structure of Aspergillus oryzae cutinase
Descriptor: Cutinase 1
Authors:Gosser, Y, Lu, Z, Alemu, G, Li, H, Kong, X, Liu, Z, Montclare, J.
Deposit date:2009-02-20
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and functional studies of Aspergillus oryzae cutinase: enhanced thermostability and hydrolytic activity of synthetic ester and polyester degradation.
J.Am.Chem.Soc., 131, 2009
4EMM
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BU of 4emm by Molmil
Crystal structure of Staphylococcus aureus ClpP in compact conformation
Descriptor: ATP-dependent Clp protease proteolytic subunit
Authors:Zhang, J, Liu, H, Yang, C.-G.
Deposit date:2012-04-12
Release date:2013-04-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Helix unfolding/refolding characterizes the functional dynamics of Staphylococcus aureus Clp protease
J.Biol.Chem., 288, 2013
1N49
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BU of 1n49 by Molmil
Viability of a Drug-Resistant HIV-1 Protease Variant: Structural Insights for Better Anti-Viral Therapy
Descriptor: Protease, RITONAVIR
Authors:Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A.
Deposit date:2002-10-30
Release date:2003-01-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Viability of a Drug-Resistant Human Immunodeficiency Virus Type 1 Protease Variant: Structural Insights for Better Antiviral Therapy
J.VIROL., 77, 2003
4YWG
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BU of 4ywg by Molmil
Crystal structure of 830A in complex with V1V2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of anti-HIV-1 gp120 V1V2 antibody 830A, Light chain of anti-HIV-1 gp120 V1V2 antibody 830A, ...
Authors:Pan, R, Kong, X.
Deposit date:2015-03-20
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.998 Å)
Cite:The V1V2 Region of HIV-1 gp120 Forms a Five-Stranded Beta Barrel.
J.Virol., 89, 2015

 

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