Author results

2JXO
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STRUCTURE OF THE SECOND PDZ DOMAIN OF NHERF-1
Descriptor:Ezrin-radixin-moesin-binding phosphoprotein 50
Authors:Cheng, H., Li, J., Dai, Z., Bu, Z., Roder, H.
Deposit date:2007-11-27
Release date:2008-12-09
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Autoinhibitory Interactions between the PDZ2 and C-terminal Domains in the Scaffolding Protein NHERF1
Structure, 17, 2009
3P2T
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CRYSTAL STRUCTURE OF LEUKOCYTE IG-LIKE RECEPTOR LILRB4 (ILT3/LIR-5/CD85K)
Descriptor:Leukocyte immunoglobulin-like receptor subfamily B member 4, SULFATE ION
Authors:Chen, Y., Nam, G., Cheng, H., Zhang, J.H., Willcox, B.E., Gao, G.F.
Deposit date:2010-10-04
Release date:2011-03-30
Last modified:2011-08-24
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Crystal structure of leukocyte Ig-like receptor LILRB4 (ILT3/LIR-5/CD85k): a myeloid inhibitory receptor involved in immune tolerance
J.Biol.Chem., 286, 2011
4HVB
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CATALYTIC UNIT OF PI3KG IN COMPLEX WITH PI3K/MTOR DUAL INHIBITOR PF-04979064
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 1-{1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl}-3-methyl-8-(6-methylpyridin-3-yl)-1,3-dihydro-2H-imidazo[4,5-c][1,5]naphthyridin-2-one
Authors:Knighton, D.R., Cheng, H.
Deposit date:2012-11-05
Release date:2013-11-20
Last modified:2014-07-02
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
6C3L
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CRYSTAL STRUCTURE OF BCL6 BTB DOMAIN WITH COMPOUND 15F
Descriptor:B-cell lymphoma 6 protein, N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea
Authors:Linhares, B., Cheng, H., Cierpicki, T., Xue, F.
Deposit date:2018-01-10
Release date:2019-01-16
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (1.460922 Å)
Cite:Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design.
J.Med.Chem., 61, 2018
6C3N
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CRYSTAL STRUCTURE OF BCL6 BTB DOMAIN IN COMPLEX WITH COMPOUND 7CC5
Descriptor:B-cell lymphoma 6 protein, N-(2-phenylethyl)-N'-pyridin-3-ylthiourea
Authors:Linhares, B., Cheng, H., Xue, F., Cierpicki, T.
Deposit date:2018-01-10
Release date:2019-01-16
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (2.531706 Å)
Cite:Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design.
J.Med.Chem., 61, 2018
6CQ1
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BCL6 BTB DOMAIN IN COMPLEX WITH 15A
Descriptor:B-cell lymphoma 6 protein, 2-{6-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)-3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-1-yl}-N-(propan-2-yl)acetamide
Authors:Linhares, B.M., Cheng, H., Xue, F., Cierpicki, T.
Deposit date:2018-03-14
Release date:2019-03-20
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (1.69921 Å)
Cite:Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design.
J.Med.Chem., 61, 2018
1PQN
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DOMINANT NEGATIVE HUMAN HDIM1 (HDIM1 1-128)
Descriptor:Spliceosomal U5 snRNP-specific 15 kDa protein
Authors:Zhang, Y.Z., Cheng, H., Gould, K.L., Golemis, E.A., Roder, H.
Deposit date:2003-06-18
Release date:2003-08-26
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structure, stability and function of hDim1 investigated by NMR, circular dichroism and mutational analysis
Biochemistry, 42, 2003
2A3D
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SOLUTION STRUCTURE OF A DE NOVO DESIGNED SINGLE CHAIN THREE-HELIX BUNDLE (A3D)
Descriptor:PROTEIN (DE NOVO THREE-HELIX BUNDLE)
Authors:Walsh, S.T.R., Cheng, H., Bryson, J.W., Roder, H., Degrado, W.F.
Deposit date:1999-04-01
Release date:1999-05-05
Last modified:2019-11-06
Method:SOLUTION NMR
Cite:Solution structure and dynamics of a de novo designed three-helix bundle protein.
Proc.Natl.Acad.Sci.USA, 96, 1999
2J8J
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SOLUTION STRUCTURE OF THE A4 DOMAIN OF BLOOD COAGULATION FACTOR XI
Descriptor:COAGULATION FACTOR XI
Authors:Samuel, D., Cheng, H., Riley, P.W., Canutescu, A.A., Bu, Z., Walsh, P.N., Roder, H.
Deposit date:2006-10-25
Release date:2007-10-02
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution Structure of the A4 Domain of Factor Xi Sheds Light on the Mechanism of Zymogen Activation.
Proc.Natl.Acad.Sci.USA, 104, 2007
2J8L
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FXI APPLE 4 DOMAIN LOOP-OUT CONFORMATION
Descriptor:COAGULATION FACTOR XI
Authors:Samuel, D., Cheng, H., Riley, P.W., Canutescu, A.A., Bu, Z., Walsh, P.N., Roder, H.
Deposit date:2006-10-25
Release date:2007-10-02
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution Structure of the A4 Domain of Factor Xi Sheds Light on the Mechanism of Zymogen Activation.
Proc.Natl.Acad.Sci.USA, 104, 2007
2KZ2
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CALMODULIN, C-TERMINAL DOMAIN, F92E MUTANT
Descriptor:Calmodulin, CALCIUM ION
Authors:Korendovych, I., Kulp, D., Wu, Y., Cheng, H., Roder, H., DeGrado, W.
Deposit date:2010-06-10
Release date:2011-04-20
Last modified:2013-05-22
Method:SOLUTION NMR
Cite:Design of a switchable eliminase.
Proc.Natl.Acad.Sci.USA, 108, 2011
2M3S
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CALMODULIN, I85L, F92E, H107I, L112R, A128T, M144R MUTANT
Descriptor:Calmodulin, CALCIUM ION
Authors:Moroz, Y.S., Wu, Y., Cheng, H., Roder, H., Korendovych, I.V.
Deposit date:2013-01-25
Release date:2013-07-24
Method:SOLUTION NMR
Cite:A single mutation in a regulatory protein produces evolvable allosterically regulated catalyst of nonnatural reaction.
Angew.Chem.Int.Ed.Engl., 52, 2013
1J7A
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STRUCTURE OF THE ANABAENA FERREDOXIN D68K MUTANT
Descriptor:FERREDOXIN I, FE2/S2 (INORGANIC) CLUSTER
Authors:Hurley, J.K., Weber-Main, A.M., Stankovich, M.T., Benning, M.M., Thoden, J.B., VanHooke, J.L., Holden, H.M., Chae, Y.K., Xia, B., Cheng, H., Markley, J.L., Martinez-Julvez, M., Gomez-Moreno, C., Schmeits, J.L., Tollen, G.
Deposit date:2001-05-16
Release date:2001-05-23
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-function relationships in Anabaena ferredoxin: correlations between X-ray crystal structures, reduction potentials, and rate constants of electron transfer to ferredoxin:NADP+ reductase for site-specific ferredoxin mutants.
Biochemistry, 36, 1997
1J7B
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STRUCTURE OF THE ANABAENA FERREDOXIN MUTANT E94K
Descriptor:FERREDOXIN I, FE2/S2 (INORGANIC) CLUSTER
Authors:Hurley, J.K., Weber-Main, A.M., Stankovich, M.T., Benning, M.M., Thoden, J.B., Vanhooke, J.L., Holden, H.M., Chae, Y.K., Xia, B., Cheng, H., Markley, J.L., Martinez-Julvez, M., Gomez-Moreno, C., Schmeits, J.L., Tollin, G.
Deposit date:2001-05-16
Release date:2001-05-23
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-function relationships in Anabaena ferredoxin: correlations between X-ray crystal structures, reduction potentials, and rate constants of electron transfer to ferredoxin:NADP+ reductase for site-specific ferredoxin mutants.
Biochemistry, 36, 1997
1J7C
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STRUCTURE OF THE ANABAENA FERREDOXIN MUTANT E95K
Descriptor:FERREDOXIN I, FE2/S2 (INORGANIC) CLUSTER
Authors:Hurley, J.K., Weber-Main, A.M., Stankovich, M.T., Benning, M.M., Thoden, J.B., Vanhooke, J.L., Holden, H.M., Chae, Y.K., Xia, B., Cheng, H., Markley, J.L., Martinez-Julvez, M., Gomez-Moreno, C., Schmeits, J.L., Tollin, G.
Deposit date:2001-05-16
Release date:2001-05-23
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-function relationships in Anabaena ferredoxin: correlations between X-ray crystal structures, reduction potentials, and rate constants of electron transfer to ferredoxin:NADP+ reductase for site-specific ferredoxin mutants.
Biochemistry, 36, 1997
1U9Q
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CRYSTAL STRUCTURE OF CRUZAIN BOUND TO AN ALPHA-KETOESTER
Descriptor:cruzipain, [1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)-2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER
Authors:Lange, M., Weston, S.G., Cheng, H., Culliane, M., Fiorey, M.M., Grisostomi, C., Hardy, L.W., Hartstough, D.S., Pallai, P.V., Tilton, R.F., Baldino, C.M., Brinen, L.S., Engel, J.C., Choe, Y., Price, M.S., Craik, C.S.
Deposit date:2004-08-10
Release date:2005-03-29
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Development of alpha-keto-based inhibitors of cruzain, a cysteine protease implicated in Chagas disease
Bioorg.Med.Chem., 13, 2005
2J8P
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NMR STRUCTURE OF C-TERMINAL DOMAIN OF HUMAN CSTF-64
Descriptor:CLEAVAGE STIMULATION FACTOR 64 KDA SUBUNIT
Authors:Qu, X., Perez-Canadillas, J.M., Agrawal, S., De Baecke, J., Cheng, H., Varani, G., Moore, C.
Deposit date:2006-10-27
Release date:2006-11-06
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:The C-Terminal Domains of Vertebrate Cstf-64 and its Yeast Orthologue RNA15 Form a New Structure Critical for Mrna 3'-End Processing.
J.Biol.Chem., 282, 2007
3Q2C
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BINDING PROPERTIES TO HLA CLASS I MOLECULES AND THE STRUCTURE OF THE LEUKOCYTE IG-LIKE RECEPTOR A3 (LILRA3/ILT6/LIR4/CD85E)
Descriptor:Leukocyte immunoglobulin-like receptor subfamily A member 3
Authors:Ryu, M., Chen, Y., Qi, J.X., Liu, J., Shi, Y., Cheng, H., Gao, G.F.
Deposit date:2010-12-20
Release date:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:LILRA3 binds both classical and non-classical HLA class I molecules but with reduced affinities compared to LILRB1/LILRB2: structural evidence
Plos One, 6, 2011
3RL1
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HIV RT DERIVED PEPTIDE COMPLEXED TO HLA-A*0301
Descriptor:HLA class I histocompatibility antigen, A-3 alpha chain, Beta-2-microglobulin, ...
Authors:Zhang, S., Liu, J., Cheng, H., Tan, S., Qi, J., Yan, J., Gao, G.F.
Deposit date:2011-04-19
Release date:2012-02-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of cross-allele presentation by HLA-A*0301 and HLA-A*1101 revealed by two HIV-derived peptide complexes
Mol.Immunol., 49, 2011
3RL2
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HIV NEF DERIVED PEPTIDE NEF73 COMPLEXED TO HLA-A*0301
Descriptor:HLA class I histocompatibility antigen, A-3 alpha chain, Beta-2-microglobulin, ...
Authors:Zhang, S., Liu, J., Cheng, H., Tan, S., Qi, J., Yan, J., Gao, G.F.
Deposit date:2011-04-19
Release date:2012-02-29
Method:X-RAY DIFFRACTION (2.386 Å)
Cite:Structural basis of cross-allele presentation by HLA-A*0301 and HLA-A*1101 revealed by two HIV-derived peptide complexes
Mol.Immunol., 49, 2011
4HWZ
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STRUCTURE OF HLA-A68 COMPLEXED WITH AN HIV DERIVED PEPTIDE
Descriptor:HLA class I histocompatibility antigen, A-68 alpha chain, Beta-2-microglobulin, ...
Authors:Niu, L., Cheng, H., Zhang, S., Tan, S., Zhang, Y., Qi, J., Liu, J., Gao, G.F.
Deposit date:2012-11-09
Release date:2013-10-16
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:Structural basis for the differential classification of HLA-A*6802 and HLA-A*6801 into the A2 and A3 supertypes
Mol.Immunol., 55, 2013
4HX1
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STRUCTURE OF HLA-A68 COMPLEXED WITH A TUMOR ANTIGEN DERIVED PEPTIDE
Descriptor:MHC class I antigen, Beta-2-microglobulin, 9-mer peptide from Tyrosinase-related protein-2, ...
Authors:Niu, L., Cheng, H., Zhang, S., Tan, S., Zhang, Y., Qi, J., Liu, J., Gao, G.F.
Deposit date:2012-11-09
Release date:2013-10-02
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Structural basis for the differential classification of HLA-A*6802 and HLA-A*6801 into the A2 and A3 supertypes
Mol.Immunol., 55, 2013
4I48
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STRUCTURE OF HLA-A68 COMPLEXED WITH AN HIV ENV DERIVED PEPTIDE
Descriptor:HLA class I histocompatibility antigen, A-68 alpha chain, Beta-2-microglobulin, ...
Authors:Niu, L., Cheng, H., Zhang, S., Tan, S., Zhang, Y., Qi, J., Liu, J., Gao, G.F.
Deposit date:2012-11-27
Release date:2013-10-02
Method:X-RAY DIFFRACTION (2.799 Å)
Cite:Structural basis for the differential classification of HLA-A*6802 and HLA-A*6801 into the A2 and A3 supertypes
Mol.Immunol., 55, 2013
5ZAK
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CRYO-EM STRUCTURE OF HUMAN DICER AND ITS COMPLEXES WITH A PRE-MIRNA SUBSTRATE
Descriptor:Endoribonuclease Dicer, RISC-loading complex subunit TARBP2
Authors:Liu, Z., Wang, J., Cheng, H., Ke, X., Sun, L., Zhang, Q.C., Wang, H.-W.
Deposit date:2018-02-07
Release date:2018-05-09
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Cryo-EM Structure of Human Dicer and Its Complexes with a Pre-miRNA Substrate.
Cell, 173, 2018
5ZAL
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CRYO-EM STRUCTURE OF HUMAN DICER AND ITS COMPLEXES WITH A PRE-MIRNA SUBSTRATE
Descriptor:Endoribonuclease Dicer, RISC-loading complex subunit TARBP2, RNA (73-mer)
Authors:Liu, Z., Wang, J., Cheng, H., Ke, X., Sun, L., Zhang, Q.C., Wang, H.-W.
Deposit date:2018-02-07
Release date:2018-05-09
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Cryo-EM Structure of Human Dicer and Its Complexes with a Pre-miRNA Substrate.
Cell, 173, 2018