Author results

5AEL
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T. BRUCEI FARNESYL DIPHOSPHATE SYNTHASE COMPLEXED WITH BISPHOSPHONATE BPH-597
Descriptor:FARNESYL PYROPHOSPHATE SYNTHASE, {2-[3-(hex-1-yn-1-yl)pyridinium-1-yl]ethane-1,1-diyl}bis(phosphonate), MAGNESIUM ION
Authors:Yang, G., Oldfield, E., No, J.H.
Deposit date:2014-12-26
Release date:2015-10-28
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation.
Antimicrob.Agents Chemother., 59, 2015
5AFX
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T. BRUCEI FARNESYL DIPHOSPHATE SYNTHASE COMPLEXED WITH BISPHOSPHONATE BPH-1238
Descriptor:FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, [1-hydroxy-2-(1-nonyl-1H-3lambda~5~-imidazol-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
Authors:Yang, G., Oldfield, E., No, J.H.
Deposit date:2015-01-27
Release date:2015-10-28
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation.
Antimicrob.Agents Chemother., 59, 2015
5AHU
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T. BRUCEI FARNESYL DIPHOSPHATE SYNTHASE COMPLEXED WITH BISPHOSPHONATE BPH-1326
Descriptor:FARNESYL PYROPHOSPHATE SYNTHASE, PUTATIVE, [2-(1-heptyl-1H-imidazol-3-ium-3-yl)ethane-1,1-diyl]bis(phosphonate), ...
Authors:Yang, G., Oldfield, E., No, J.H.
Deposit date:2015-02-09
Release date:2015-10-28
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation.
Antimicrob.Agents Chemother., 59, 2015
6IDF
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CRYO-EM STRUCTURE OF GAMMA SECRETASE IN COMPLEX WITH A NOTCH FRAGMENT
Descriptor:Nicastrin, Presenilin-1, Gamma-secretase subunit APH-1A, ...
Authors:Yang, G., Zhou, R., Zhou, Q., Guo, X., Yan, C., Ke, M., Lei, J., Shi, Y.
Deposit date:2018-09-09
Release date:2018-12-26
Last modified:2019-01-23
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural basis of Notch recognition by human gamma-secretase
Nature, 565, 2019
5EH9
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INDIRECT CONTRIBUTIONS OF MUTATIONS UNDERLIE OPTIMIZATION OF NEW ENZYME FUNCTION
Descriptor:N-acyl homoserine lactonase AiiA, ZINC ION, GLYCEROL, ...
Authors:Hong, N.-S., Jackson, C.J., Tokuriki, N., Yang, G., Baier, F.
Deposit date:2015-10-28
Release date:2016-09-07
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Conformational Tinkering Drives Evolution of a Promiscuous Activity through Indirect Mutational Effects.
Biochemistry, 55, 2016
1JXZ
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STRUCTURE OF THE H90Q MUTANT OF 4-CHLOROBENZOYL-COENZYME A DEHALOGENASE COMPLEXED WITH 4-HYDROXYBENZOYL-COENZYME A (PRODUCT)
Descriptor:4-chlorobenzoyl Coenzyme A dehalogenase, CALCIUM ION, 4-HYDROXYBENZOYL COENZYME A, ...
Authors:Thoden, J.B., Zhang, W., Wei, Y., Luo, L., Taylor, K.L., Yang, G., Dunaway-Mariano, D., Benning, M.M., Holden, H.M.
Deposit date:2001-09-10
Release date:2001-10-03
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Histidine 90 Function in 4-chlorobenzoyl-coenzyme A Dehalogenase Catalysis
Biochemistry, 40, 2001
1YM2
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CRYSTAL STRUCTURE OF HUMAN BETA SECRETASE COMPLEXED WITH NVP-AUR200
Descriptor:Beta-secretase 1, NVP-AUR200 INHIBITOR
Authors:Hanessian, S., Yun, H., Hou, Y., Yang, G., Bayrakdarian, M., Therrien, E., Moitessier, N., Roggo, S., Veenstra, S.
Deposit date:2005-01-20
Release date:2006-01-17
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics
J.Med.Chem., 48, 2005
1YM4
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CRYSTAL STRUCTURE OF HUMAN BETA SECRETASE COMPLEXED WITH NVP-AMK640
Descriptor:Beta-secretase 1, NVP-AMK640 INHIBITOR
Authors:Hanessian, S., Yun, H., Hou, Y., Yang, G., Bayrakdarian, M., Therrien, E., Moitessier, N., Roggo, S., Veenstra, S.
Deposit date:2005-01-20
Release date:2006-01-17
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics
J.Med.Chem., 48, 2005
2ADU
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HUMAN METHIONINE AMINOPEPTIDASE COMPLEX WITH 4-ARYL-1,2,3-TRIAZOLE INHIBITOR
Descriptor:Methionine aminopeptidase 2, COBALT (II) ION, 4-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLE
Authors:Kallander, L.S., Lu, Q., Chen, W., Tomaszek, T., Yang, G., Tew, D., Meek, T.D., Hofmann, G.A., Schulz-Pritchard, C.K., Smith, W.W., Janson, C.A., Ryan, M.D., Zhang, G.F., Johanson, K.O., Kirkpatrick, R.B., Ho, T.F., Fisher, P.W., Mattern, M.R., Johnson, R.K., Hansbury, M.J., Winkler, J.D., Ward, K.W., Veber, D.F., Thompson, S.K.
Deposit date:2005-07-20
Release date:2005-09-13
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:4-Aryl-1,2,3-triazole: A Novel Template for a Reversible Methionine Aminopeptidase 2 Inhibitor, Optimized To Inhibit Angiogenesis in Vivo
J.Med.Chem., 48, 2005
2OAZ
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HUMAN METHIONINE AMINOPEPTIDASE-2 COMPLEXED WITH SB-587094
Descriptor:human Methionine Amino Peptidase 2, COBALT (II) ION, N-(2-ISOPROPYLPHENYL)-3-[(2-THIENYLMETHYL)THIO]-1H-1,2,4-TRIAZOL-5-AMINE
Authors:Marino Jr., J.P., Fisher, P.W., Hofmann, G.A., Kirkpatrick, R., Janson, C.A., Johnson, R.K., Ma, C., Mattern, M., Meek, T.D., Ryan, D., Schulz, C., Smith, W.W., Tew, D.G., Tomazek Jr., T.A., Veber, D.F., Xiong, W.C., Yamamoto, Y., Yamashita, K., Yang, G., Thompson, S.K.
Deposit date:2006-12-18
Release date:2007-06-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Highly potent inhibitors of methionine aminopeptidase-2 based on a 1,2,4-triazole pharmacophore.
J.Med.Chem., 50, 2007
3G5K
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STRUCTURE AND ACTIVITY OF HUMAN MITOCHONDRIAL PEPTIDE DEFORMYLASE, A NOVEL CANCER TARGET
Descriptor:Peptide deformylase, mitochondrial, ACTINONIN, ...
Authors:Escobar-Alvarez, S., Goldgur, Y., Yang, G., Ouerfelli, O., Li, Y., Scheinberg, D.A.
Deposit date:2009-02-05
Release date:2009-04-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and activity of human mitochondrial peptide deformylase, a novel cancer target
J.Mol.Biol., 387, 2009
3G5P
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STRUCTURE AND ACTIVITY OF HUMAN MITOCHONDRIAL PEPTIDE DEFORMYLASE, A NOVEL CANCER TARGET
Descriptor:Peptide deformylase, mitochondrial, COBALT (II) ION, ...
Authors:Escobar-Alvarez, S., Goldgur, Y., Yang, G., Ouerfelli, O., Li, Y., Scheinberg, D.A.
Deposit date:2009-02-05
Release date:2009-04-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and activity of human mitochondrial peptide deformylase, a novel cancer target
J.Mol.Biol., 387, 2009
4R12
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CRYSTAL STRUCTURE OF THE GAMMA-SECRETASE COMPONENT NICASTRIN
Descriptor:Putative uncharacterized protein, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Xie, T., Yan, C., Zhou, R., Zhao, Y., Sun, L., Yang, G., Lu, P., Ma, D., Shi, Y.
Deposit date:2014-08-03
Release date:2014-09-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of the gamma-secretase component nicastrin
Proc.Natl.Acad.Sci.USA, 2014
4UIS
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THE CRYOEM STRUCTURE OF HUMAN GAMMA-SECRETASE COMPLEX
Descriptor:GAMMA-SECRETASE, LYSOZYME
Authors:Sun, L., Zhao, L., Yang, G., Yan, C., Zhou, R., Zhou, X., Xie, T., Zhao, Y., Wu, S., Li, X., Shi, Y.
Deposit date:2015-04-03
Release date:2015-06-10
Last modified:2017-08-02
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural Basis of Human Gamma-Secretase Assembly.
Proc.Natl.Acad.Sci.USA, 112, 2015
5A63
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CRYO-EM STRUCTURE OF THE HUMAN GAMMA-SECRETASE COMPLEX AT 3.4 ANGSTROM RESOLUTION.
Descriptor:NICASTRIN, PRESENILIN-1, GAMMA-SECRETASE SUBUNIT APH-1A, ...
Authors:Bai, X., Yan, C., Yang, G., Lu, P., Ma, D., Sun, L., Zhou, R., Scheres, S.H.W., Shi, Y.
Deposit date:2015-06-24
Release date:2015-08-05
Last modified:2017-08-02
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:An Atomic Structure of Human Gamma-Secretase
Nature, 525, 2015
6C2C
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THE MOLECULAR BASIS FOR THE FUNCTIONAL EVOLUTION OF AN ORGANOPHOSPHATE HYDROLYSING ENZYME
Descriptor:dihydrocoumarin hydrolase, AncDHCH1, ZINC ION, ...
Authors:Hong, N.-S., Jackson, C.J., Carr, P.D., Tokuriki, N., Baier, F., Yang, G.
Deposit date:2018-01-08
Release date:2019-01-16
Last modified:2019-01-23
Method:X-RAY DIFFRACTION (1.597 Å)
Cite:Higher-order epistatic networks underlie the evolutionary fitness landscape of a xenobiotic-degrading enzyme
Biorxiv, 2019
6IYC
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RECOGNITION OF THE AMYLOID PRECURSOR PROTEIN BY HUMAN GAMMA-SECRETASE
Descriptor:Nicastrin, Presenilin-1, Gamma-secretase subunit APH-1A, ...
Authors:Zhou, R., Yang, G., Guo, X., Zhou, Q., Lei, J., Shi, Y.
Deposit date:2018-12-14
Release date:2019-01-23
Last modified:2019-03-06
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Recognition of the amyloid precursor protein by human gamma-secretase.
Science, 363, 2019
1B6I
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T4 LYSOZYME MUTANT WITH CYS 54 REPLACED BY THR, CYS 97 REPLACED BY ALA, THR 21 REPLACED BY CYS AND LYS 124 REPLACED BY CYS (C54T,C97A,T21C,K124C)
Descriptor:PROTEIN (LYSOZYME), 2-HYDROXYETHYL DISULFIDE
Authors:Vetter, I.R., Baase, W.A., Snow, S., Matthews, B.W.
Deposit date:1999-01-14
Release date:2000-01-12
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Solid-state synthesis and mechanical unfolding of polymers of T4 lysozyme.
Proc.Natl.Acad.Sci.USA, 97, 2000
4N0S
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COMPLEX OF ERK2 WITH CAFFEIC ACID
Descriptor:Mitogen-activated protein kinase 1, CAFFEIC ACID, SULFATE ION, ...
Authors:Kurinov, I., Malakhova, M.
Deposit date:2013-10-02
Release date:2014-08-27
Last modified:2014-10-22
Method:X-RAY DIFFRACTION (1.7992 Å)
Cite:Caffeic Acid Directly Targets ERK1/2 to Attenuate Solar UV-Induced Skin Carcinogenesis.
Cancer Prev Res (Phila), 7, 2014
5EHT
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INDIRECT CONTRIBUTIONS OF MUTATIONS UNDERLIE OPTIMIZATION OF NEW ENZYME FUNCTION
Descriptor:N-acyl homoserine lactonase, ZINC ION, GLYCEROL
Authors:Jackson, C.J., Hong, N.-S.
Deposit date:2015-10-28
Release date:2016-09-07
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Conformational Tinkering Drives Evolution of a Promiscuous Activity through Indirect Mutational Effects.
Biochemistry, 55, 2016
5V6I
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GLYCAN BINDING PROTEIN Y3 FROM MUSHROOM COPRINUS COMATUS POSSESSES ANTI-LEUKEMIC ACTIVITY - PT DERIVATIVE
Descriptor:TMV resistance protein Y3, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, PLATINUM (II) ION, ...
Authors:Li, K., Zhang, P., Gang, Y., Xia, C., Polston, J.E., Li, G., Li, S., Lin, Z., Yang, L.-J., Bruner, S.D., Ding, Y.
Deposit date:2017-03-16
Release date:2017-08-16
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Cytotoxic protein from the mushroom Coprinus comatus possesses a unique mode for glycan binding and specificity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5V6J
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GLYCAN BINDING PROTEIN Y3 FROM MUSHROOM COPRINUS COMATUS POSSESSES ANTI-LEUKEMIC ACTIVITY
Descriptor:TMV resistance protein Y3, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID
Authors:Li, K., Zhang, P., Gang, Y., Xia, C., Polston, J.E., Li, G., Li, S., Lin, Z., Yang, L.-J., Bruner, S.D., Ding, Y.
Deposit date:2017-03-16
Release date:2017-08-16
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Cytotoxic protein from the mushroom Coprinus comatus possesses a unique mode for glycan binding and specificity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5GMZ
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HEPATITIS B VIRUS CORE PROTEIN Y132A MUTANT IN COMPLEX WITH 4-METHYL HETEROARYLDIHYDROPYRIMIDINE
Descriptor:Core protein, ISOPROPYL ALCOHOL, (2S)-4,4-difluoro-1-[[(4S)-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid, ...
Authors:Xu, Z.H., Zhou, Z.
Deposit date:2016-07-18
Release date:2016-08-10
Last modified:2016-09-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design and Synthesis of Orally Bioavailable 4-Methyl Heteroaryldihydropyrimidine Based Hepatitis B Virus (HBV) Capsid Inhibitors
J.Med.Chem., 59, 2016
5WYM
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CRYSTAL STRUCTURE OF AN ANTI-CONNEXIN26 SCFV
Descriptor:anti-connexin26 scFv,Ig heavy chain,Linker,anti-connexin26 scFv,Ig light chain
Authors:Li, S., Xu, L.
Deposit date:2017-01-13
Release date:2018-01-24
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Design and Characterization of a Human Monoclonal Antibody that Modulates Mutant Connexin 26 Hemichannels Implicated in Deafness and Skin Disorders
Front Mol Neurosci, 10, 2017
5XLS
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CRYSTAL STRUCTURE OF URAA IN OCCLUDED CONFORMATION
Descriptor:Uracil permease, URACIL, 12-TUNGSTOPHOSPHATE
Authors:Yu, X.Z., Yang, G.H., Yan, C.Y., Yan, N.
Deposit date:2017-05-11
Release date:2017-07-05
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Dimeric structure of the uracil:proton symporter UraA provides mechanistic insights into the SLC4/23/26 transporters
Cell Res., 27, 2017