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2JXO
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BU of 2jxo by Molmil
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:2022-03-16
Method:SOLUTION NMR
Cite:Autoinhibitory Interactions between the PDZ2 and C-terminal Domains in the Scaffolding Protein NHERF1
Structure, 17, 2009
6C3N
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BU of 6c3n by Molmil
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:2023-10-04
Method:X-RAY DIFFRACTION (2.53170586 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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BU of 6cq1 by Molmil
BCL6 BTB domain in complex with 15a
Descriptor: 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, B-cell lymphoma 6 protein
Authors:Linhares, B.M, Cheng, H, Xue, F, Cierpicki, T.
Deposit date:2018-03-14
Release date:2019-03-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.69921041 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
4HVB
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BU of 4hvb by Molmil
Catalytic unit of PI3Kg in complex with PI3K/mTOR dual inhibitor PF-04979064
Descriptor: 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, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R, Cheng, H.
Deposit date:2012-11-05
Release date:2013-11-20
Last modified:2024-02-28
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
3P2T
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BU of 3p2t by Molmil
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:2023-11-01
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
6C3L
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BU of 6c3l by Molmil
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:2023-10-04
Method:X-RAY DIFFRACTION (1.46092153 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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BU of 1pqn by Molmil
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:2022-03-02
Method:SOLUTION NMR
Cite:Structure, stability and function of hDim1 investigated by NMR, circular dichroism and mutational analysis
Biochemistry, 42, 2003
2M3S
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BU of 2m3s by Molmil
Calmodulin, i85l, f92e, h107i, l112r, a128t, m144r mutant
Descriptor: CALCIUM ION, Calmodulin
Authors:Moroz, Y.S, Wu, Y, Cheng, H, Roder, H, Korendovych, I.V.
Deposit date:2013-01-25
Release date:2013-07-24
Last modified:2023-06-14
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
2A3D
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BU of 2a3d by Molmil
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:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure and dynamics of a de novo designed three-helix bundle protein.
Proc.Natl.Acad.Sci.USA, 96, 1999
8GTN
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BU of 8gtn by Molmil
Cryo-EM structure of the gasdermin B pore
Descriptor: Isoform 4 of Gasdermin-B
Authors:Hou, Y.J, Cheng, H, Ding, J.
Deposit date:2022-09-08
Release date:2023-04-12
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Structural mechanisms for regulation of GSDMB pore-forming activity.
Nature, 616, 2023
2J8J
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BU of 2j8j by Molmil
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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BU of 2j8l by Molmil
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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BU of 2kz2 by Molmil
Calmodulin, C-terminal domain, F92E mutant
Descriptor: CALCIUM ION, Calmodulin
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
1U9Q
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BU of 1u9q by Molmil
Crystal structure of cruzain bound to an alpha-ketoester
Descriptor: [1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)-2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER, cruzipain
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:2023-08-23
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
1J7C
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BU of 1j7c by Molmil
STRUCTURE OF THE ANABAENA FERREDOXIN MUTANT E95K
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN I
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:2024-02-07
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
1J7A
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BU of 1j7a by Molmil
STRUCTURE OF THE ANABAENA FERREDOXIN D68K MUTANT
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN I
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:2024-02-07
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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BU of 1j7b by Molmil
STRUCTURE OF THE ANABAENA FERREDOXIN MUTANT E94K
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN I
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:2024-02-07
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
2J8P
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BU of 2j8p by Molmil
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
4HX1
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BU of 4hx1 by Molmil
Structure of HLA-A68 complexed with a tumor antigen derived peptide
Descriptor: 9-mer peptide from Tyrosinase-related protein-2, Beta-2-microglobulin, GLYCEROL, ...
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
4HWZ
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BU of 4hwz by Molmil
Structure of HLA-A68 complexed with an HIV derived peptide
Descriptor: 9-mer peptide from Pol protein, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
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
Last modified:2023-11-08
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
4I48
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BU of 4i48 by Molmil
Structure of HLA-A68 complexed with an HIV Env derived peptide
Descriptor: 9-mer peptide from Envelope glycoprotein gp160, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
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
3Q2C
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BU of 3q2c by Molmil
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
Last modified:2023-11-01
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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BU of 3rl1 by Molmil
HIV RT derived peptide complexed to HLA-A*0301
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-3 alpha chain, ...
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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BU of 3rl2 by Molmil
HIV Nef derived peptide Nef73 complexed to HLA-A*0301
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-3 alpha chain, ...
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
6J2E
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BU of 6j2e by Molmil
Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with Ebola virus-derived peptide EBOV-NP1
Descriptor: Beta-2-microglobulin, EBOV-NP1, MHC class I antigen
Authors:Lu, D, Liu, K.F, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, G.F, Liu, W.J.
Deposit date:2019-01-01
Release date:2019-09-18
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats.
Plos Biol., 17, 2019

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