Author results

4OGT
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CO-CRYSTAL STRUCTURE OF MDM2 WITH INHBITOR COMPOUND 46
Descriptor:E3 ubiquitin-protein ligase Mdm2, 6-{[(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid, SULFATE ION
Authors:Shaffer, P.L., Huang, X., Yakowec, P., Long, A.M.
Deposit date:2014-01-16
Release date:2014-04-02
Last modified:2014-06-18
Method:X-RAY DIFFRACTION (1.5361 Å)
Cite:Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57, 2014
4OGV
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CO-CRYSTAL STRUCTURE OF MDM2 WITH INHIBITOR COMPOUND 49
Descriptor:E3 ubiquitin-protein ligase Mdm2, [(2S,5R,6R)-4-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
Authors:Shaffer, P.L., Huang, X., Yakowec, P., Long, A.M.
Deposit date:2014-01-16
Release date:2014-04-02
Last modified:2014-06-18
Method:X-RAY DIFFRACTION (2.197 Å)
Cite:Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57, 2014
4QO4
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CO-CRYSTAL STRUCTURE OF MDM2 (17-111) WITH COMPOUND 16, {(3R,5R,6S)-5-(3-CHLOROPHENYL)-6-(4-CHLOROPHENYL)-1-[(1S)-1-(6-CYCLOPROPYLPYRIDIN-2-YL)PROPYL]-3-METHYL-2-OXOPIPERIDIN-3-YL}ACETIC ACID
Descriptor:E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-(6-cyclopropylpyridin-2-yl)propyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
Authors:Huang, X.
Deposit date:2014-06-19
Release date:2014-07-16
Last modified:2014-09-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Potent and Simplified Piperidinone-Based Inhibitors of the MDM2-p53 Interaction.
ACS Med Chem Lett, 5, 2014
4TTH
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CRYSTAL STRUCTURE OF A CDK6/VCYCLIN COMPLEX WITH INHIBITOR BOUND
Descriptor:Cyclin homolog, Cyclin-dependent kinase 6, 9-cyclopentyl-N-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine
Authors:Piper, D.E., Walker, N., Wang, Z.
Deposit date:2014-06-20
Release date:2014-08-06
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of AMG 925, a FLT3 and CDK4 dual kinase inhibitor with preferential affinity for the activated state of FLT3.
J.Med.Chem., 57, 2014
4WT2
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CO-CRYSTAL STRUCTURE OF MDM2 IN COMPLEX WITH AM-7209
Descriptor:E3 ubiquitin-protein ligase Mdm2, 4-({[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetyl}amino)-2-methoxybenzoic acid, SULFATE ION
Authors:Shaffer, P.L., Huang, X., Yakowec, P., Long, A.M.
Deposit date:2014-10-30
Release date:2014-12-03
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Discovery of AM-7209, a Potent and Selective 4-Amidobenzoic Acid Inhibitor of the MDM2-p53 Interaction.
J.Med.Chem., 57, 2014
6A0N
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THE CRYSTAL STRUCTURE OF APO-LPG2622
Descriptor:Lpg2622
Authors:Gong, X., Ge, H.
Deposit date:2018-06-05
Release date:2018-09-12
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural characterization of the hypothetical protein Lpg2622, a new member of the C1 family peptidases from Legionella pneumophila
FEBS Lett., 592, 2018
6A0Q
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THE CRYSTAL STRUCTURE OF LPG2622_E64 COMPLEX
Descriptor:Lpg2622, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE
Authors:Gong, X., Ge, H.
Deposit date:2018-06-06
Release date:2018-09-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural characterization of the hypothetical protein Lpg2622, a new member of the C1 family peptidases from Legionella pneumophila
FEBS Lett., 592, 2018
3RJX
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CRYSTAL STRUCTURE OF HYPERTHERMOPHILIC ENDO-BETA-1,4-GLUCANASE
Descriptor:Endoglucanase FnCel5A
Authors:Zheng, B.S., Yang, W., Zhao, X.Y., Wang, Y.G., Lou, Z.Y., Rao, Z.H., Feng, Y.
Deposit date:2011-04-15
Release date:2011-12-14
Last modified:2015-12-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of hyperthermophilic endo-beta-1,4-glucanase: implications for catalytic mechanism and thermostability.
J.Biol.Chem., 287, 2012
5XZ3
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THE X-RAY STRUCTURE OF APIS MELLIFERA PGRP-SA
Descriptor:Peptidoglycan-recognition protein, SULFATE ION
Authors:Liu, Y.J., Huang, J.X., Zhao, X.M., An, J.D.
Deposit date:2017-07-11
Release date:2018-07-18
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of peptidoglycan recognition protein SA in Apis mellifera (Hymenoptera: Apidae).
Protein Sci., 27, 2018
1Q3H
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MOUSE CFTR NBD1 WITH AMP.PNP
Descriptor:Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Lewis, H.A., Buchanan, S.G., Burley, S.K., Conners, K., Dickey, M., Dorwart, M., Fowler, R., Gao, X., Guggino, W.B., Hendrickson, W.A.
Deposit date:2003-07-29
Release date:2003-12-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
1R0W
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CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR (CFTR) NUCLEOTIDE-BINDING DOMAIN ONE (NBD1) APO
Descriptor:Cystic fibrosis transmembrane conductance regulator, ACETIC ACID
Authors:Lewis, H.A., Buchanan, S.G., Burley, S.K., Conners, K., Dickey, M., Dorwart, M., Fowler, R., Gao, X., Guggino, W.B., Hendrickson, W.A.
Deposit date:2003-09-23
Release date:2003-12-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
1R0X
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CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR (CFTR) NUCLEOTIDE-BINDING DOMAIN ONE (NBD1) WITH ATP
Descriptor:Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Lewis, H.A., Buchanan, S.G., Burley, S.K., Conners, K., Dickey, M., Dorwart, M., Fowler, R., Gao, X., Guggino, W.B., Hendrickson, W.A.
Deposit date:2003-09-23
Release date:2003-12-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
1R0Y
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CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR (CFTR) NUCLEOTIDE-BINDING DOMAIN ONE (NBD1) WITH ADP
Descriptor:Cystic fibrosis transmembrane conductance regulator, ADENOSINE-5'-DIPHOSPHATE, ACETIC ACID
Authors:Lewis, H.A., Buchanan, S.G., Burley, S.K., Conners, K., Dickey, M., Dorwart, M., Fowler, R., Gao, X., Guggino, W.B., Hendrickson, W.A.
Deposit date:2003-09-23
Release date:2003-12-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
1R0Z
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PHOSPHORYLATED CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR (CFTR) NUCLEOTIDE-BINDING DOMAIN ONE (NBD1) WITH ATP
Descriptor:Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Lewis, H.A., Buchanan, S.G., Burley, S.K., Conners, K., Dickey, M., Dorwart, M., Fowler, R., Gao, X., Guggino, W.B., Hendrickson, W.A.
Deposit date:2003-09-23
Release date:2003-12-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
1R10
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CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR (CFTR) NUCLEOTIDE-BINDING DOMAIN ONE (NBD1) WITH ATP, I4122 SPACE GROUP
Descriptor:Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Lewis, H.A., Buchanan, S.G., Burley, S.K., Conners, K., Dickey, M., Dorwart, M., Fowler, R., Gao, X., Guggino, W.B., Hendrickson, W.A.
Deposit date:2003-09-23
Release date:2003-12-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
4JWR
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CO-CRYSTAL STRUCTURE OF MDM2 WITH INHIBITOR {(2S,5R,6S)-6-(3-CHLOROPHENYL)-5-(4-CHLOROPHENYL)-4-[(2S)-1-HYDROXYBUTAN-2-YL]-3-OXOMORPHOLIN-2-YL}ACETIC ACID
Descriptor:E3 ubiquitin-protein ligase Mdm2, {(2S,5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]-3-oxomorpholin-2-yl}acetic acid
Authors:Shaffer, P.L.
Deposit date:2013-03-27
Release date:2013-05-01
Last modified:2013-06-05
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
4N90
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CRYSTAL STRUCTURE OF TERNARY COMPLEX OF TRAIL, DR5, AND FAB FRAGMENT FROM A DR5 AGONIST ANTIBODY
Descriptor:Tumor necrosis factor receptor superfamily member 10B, Tumor necrosis factor ligand superfamily member 10, Fab light chain, ...
Authors:Huang, X.
Deposit date:2013-10-18
Release date:2014-09-03
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Apo2L/TRAIL and the Death Receptor 5 Agonist Antibody AMG 655 Cooperate to Promote Receptor Clustering and Antitumor Activity.
Cancer Cell, 26, 2014
5HU4
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CYSTAL STRUCTURE OF LISTERIA MONOCYTOGENES SORTASE A
Descriptor:Cysteine protease
Authors:Li, H.
Deposit date:2016-01-27
Release date:2017-02-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Inhibition of sortase A by chalcone prevents Listeria monocytogenes infection.
Biochem. Pharmacol., 106, 2016
5XJY
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CRYO-EM STRUCTURE OF HUMAN ABCA1
Descriptor:ATP-binding cassette sub-family A member 1, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE
Authors:Qian, H.W., Yan, N., Gong, X.
Deposit date:2017-05-04
Release date:2017-06-07
Last modified:2017-07-05
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structure of the Human Lipid Exporter ABCA1.
Cell, 169, 2017
6DMB
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CRYO-EM STRUCTURE OF HUMAN PTCH1
Descriptor:Protein patched homolog 1, N-ACETYL-D-GLUCOSAMINE, CHOLESTEROL HEMISUCCINATE
Authors:Yan, N., Gong, X., Qian, H.W.
Deposit date:2018-06-04
Release date:2018-07-11
Last modified:2018-08-22
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis for the recognition of Sonic Hedgehog by human Patched1.
Science, 361, 2018
6DMO
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CRYO-EM STRUCTURE OF HUMAN PTCH1 WITH THREE MUTATIONS L282Q/T500F/P504L
Descriptor:Protein patched homolog 1, N-ACETYL-D-GLUCOSAMINE
Authors:Yan, N., Gong, X., Qian, H.W.
Deposit date:2018-06-05
Release date:2018-07-11
Last modified:2018-08-22
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural basis for the recognition of Sonic Hedgehog by human Patched1.
Science, 361, 2018
6DMY
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CRYO-EM STRUCTURE OF HUMAN PTCH1 AND SHHN COMPLEX
Descriptor:Protein patched homolog 1, Sonic hedgehog protein, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Yan, N., Gong, X., Qian, H.W.
Deposit date:2018-06-05
Release date:2018-07-11
Last modified:2018-08-22
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis for the recognition of Sonic Hedgehog by human Patched1.
Science, 361, 2018
6IVE
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MOLECULAR STRUCTURE OF A THERMOSTABLE AND A ZINC ION BINDING GAMMA-CLASS CARBONIC ANHYDRASE
Descriptor:Ferripyochelin-binding protein, ZINC ION, PHOSPHATE ION
Authors:Wang, W.M., Wang, H.F.
Deposit date:2018-12-03
Release date:2019-04-03
Last modified:2019-04-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular structure of thermostable and zinc-ion-binding gamma-class carbonic anhydrases.
Biometals, 32, 2019
1SQT
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SUBSTITUTED 2-NAPHTHAMIDINE INHIBITORS OF UROKINASE
Descriptor:Urokinase-type plasminogen activator, 7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NAPHTHALENE-2-CARBOXIMIDAMIDE
Authors:Wendt, M.D., Geyer, A., McClellan, W.J., Rockway, T.W., Weitzberg, M., Zhang, X., Mantei, R., Stewart, K., Nienaber, V., Klinghofer, V., Giranda, V.L.
Deposit date:2004-03-19
Release date:2004-04-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Interaction with the S1beta-pocket of urokinase: 8-heterocycle substituted and 6,8-disubstituted 2-naphthamidine urokinase inhibitors.
Bioorg.Med.Chem.Lett., 14, 2004
1W66
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STRUCTURE OF A LIPOATE-PROTEIN LIGASE B FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor:LIPOYLTRANSFERASE, DECANOIC ACID
Authors:Ma, Q., Wilmanns, M.
Deposit date:2004-08-13
Release date:2005-12-08
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:The Mycobacterium Tuberculosis Lipb Enzyme Functions as a Cysteine/Lysine Dyad Acyltransferase.
Proc.Natl.Acad.Sci.USA, 103, 2006