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5F6E
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BU of 5f6e by Molmil
Crystal Structure of human Ubc9 (K48A/K49A/E54A)
Descriptor: 1,2-ETHANEDIOL, SUMO-conjugating enzyme UBC9
Authors:Lountos, G.T, Hewitt, W.M, Zlotkowski, Z, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S.
Deposit date:2015-12-05
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
5F6U
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BU of 5f6u by Molmil
Crystal Structure of Ubc9 (K48A/K49A/E54A) complexed with Fragment 8 (JSS190B146)
Descriptor: SUMO-conjugating enzyme UBC9, ethyl 3-[4-(2-hydroxyphenyl)-3-oxidanyl-phenyl]propanoate
Authors:Lountos, G.T, Hewitt, W.M, Zlotkowski, Z, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S.
Deposit date:2015-12-07
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.552 Å)
Cite:Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
5F6X
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BU of 5f6x by Molmil
Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 2 (mercaptobenzoxazole from cocktail screen)
Descriptor: 5-chloranyl-3~{H}-1,3-benzoxazole-2-thione, SUMO-conjugating enzyme UBC9
Authors:Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S.
Deposit date:2015-12-07
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
5F6Y
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BU of 5f6y by Molmil
Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 2 (mercaptobenzoxazole)
Descriptor: 5-chloranyl-3~{H}-1,3-benzoxazole-2-thione, SUMO-conjugating enzyme UBC9
Authors:Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S.
Deposit date:2015-12-07
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
1XM5
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BU of 1xm5 by Molmil
Crystal structure of metal-dependent hydrolase ybeY from E. coli, Pfam UPF0054
Descriptor: Hypothetical UPF0054 protein ybeY, NICKEL (II) ION
Authors:Fedorov, A.A, Fedorov, E.V, Shi, W, Ramagopal, U.A, Thirumuruhan, R, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2004-10-01
Release date:2004-10-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The ybeY protein from Escherichia coli is a metalloprotein.
Acta Crystallogr.,Sect.F, 61, 2005
3TPX
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BU of 3tpx by Molmil
Crystal structure of human MDM2 in complex with a trifluoromethylated D-peptide inhibitor
Descriptor: ACETATE ION, CHLORIDE ION, D-peptide inhibitor DPMI-delta, ...
Authors:Wu, X, Pazgier, M.
Deposit date:2011-09-08
Release date:2012-06-20
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An Ultrahigh Affinity d-Peptide Antagonist Of MDM2.
J.Med.Chem., 55, 2012
4DU0
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BU of 4du0 by Molmil
Crystal structure of human alpha-defensin 1, HNP1 (G17A mutant)
Descriptor: CHLORIDE ION, GLYCEROL, Neutrophil defensin 1
Authors:Wu, X, Lu, W, Pazgier, M.
Deposit date:2012-02-21
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Invariant gly residue is important for alpha-defensin folding, dimerization, and function: a case study of the human neutrophil alpha-defensin HNP1
J.Biol.Chem., 287, 2012
5L19
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BU of 5l19 by Molmil
Crystal Structure of a human FasL mutant
Descriptor: SULFATE ION, Tumor necrosis factor ligand superfamily member 6, ZINC ION
Authors:Liu, W, Bonanno, J.B, Almo, S.C.
Deposit date:2016-07-28
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Complex of Human FasL and Its Decoy Receptor DcR3.
Structure, 24, 2016
5L36
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BU of 5l36 by Molmil
Crystal Structure of a human FasL mutant in complex with human DcR3
Descriptor: SODIUM ION, Tumor necrosis factor ligand superfamily member 6, Tumor necrosis factor receptor superfamily member 6B
Authors:Liu, W, Bonanno, J.B, Almo, S.C.
Deposit date:2016-08-03
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structure of the Complex of Human FasL and Its Decoy Receptor DcR3.
Structure, 24, 2016
3IWY
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BU of 3iwy by Molmil
Crystal structure of human MDM2 complexed with D-peptide (12 residues)
Descriptor: D-peptide inhibitor, E3 ubiquitin-protein ligase Mdm2
Authors:Pazgier, M, Lu, W.
Deposit date:2009-09-03
Release date:2010-04-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:D-peptide inhibitors of the p53-MDM2 interaction for targeted molecular therapy of malignant neoplasms.
Proc.Natl.Acad.Sci.USA, 398, 2010
3MB8
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BU of 3mb8 by Molmil
Crystal structure of purine nucleoside phosphorylase from toxoplasma gondii in complex with immucillin-H
Descriptor: 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, GLYCEROL, PHOSPHATE ION, ...
Authors:Ho, M, Almo, S.C, Schramm, V.L.
Deposit date:2010-03-25
Release date:2011-04-06
Last modified:2022-10-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inhibition and Structure of Toxoplasma gondii Purine Nucleoside Phosphorylase.
Eukaryot Cell, 13, 2014
4RXZ
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BU of 4rxz by Molmil
Crystal Structure of MDMX phosporylated Tyr99 in complex with a 12-mer peptide
Descriptor: 12-MER PEPTIDE INHIBITOR, Protein Mdm4
Authors:Pazgier, M, Gohain, N, Tolbert, W.D.
Deposit date:2014-12-12
Release date:2015-07-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural basis of how stress-induced MDMX phosphorylation activates p53.
Oncogene, 35, 2016
4EYC
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BU of 4eyc by Molmil
Crystal structure of the cathelin-like domain of human cathelicidin LL-37 (hCLD)
Descriptor: Cathelicidin antimicrobial peptide
Authors:Pazgier, M, Pozharski, E, Toth, E, Lu, W.
Deposit date:2012-05-01
Release date:2013-02-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Functional Analysis of the Pro-Domain of Human Cathelicidin, LL-37.
Biochemistry, 52, 2013
4LBF
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BU of 4lbf by Molmil
Crystal structure of HUMAN ALPHA-DEFENSIN 1 (HNP1) I20A/L25A mutant
Descriptor: GLYCEROL, Neutrophil defensin 1
Authors:Tolbert, W.D, Wu, X, Pazgier, M.
Deposit date:2013-06-20
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Single, Double and Quadruple Alanine Substitutions at Oligomeric Interfaces Identify Hydrophobicity as the Key Determinant of Human Neutrophil Alpha Defensin HNP1 Function.
Plos One, 8, 2013
4LB1
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BU of 4lb1 by Molmil
Crystal structure of human alpha-defensin 1 (HNP1) Y16A/F28A mutant
Descriptor: Neutrophil defensin 1
Authors:Tolbert, W.D, Wu, X, Pazgier, M.
Deposit date:2013-06-20
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Single, Double and Quadruple Alanine Substitutions at Oligomeric Interfaces Identify Hydrophobicity as the Key Determinant of Human Neutrophil Alpha Defensin HNP1 Function.
Plos One, 8, 2013
4LB7
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BU of 4lb7 by Molmil
Crystal structure of human alpha-defensin 1 (HNP1) Y16A/I20A/L25A/F28A mutant.
Descriptor: Neutrophil defensin 1
Authors:Tolbert, W.D, Wu, X, Pazgier, M.
Deposit date:2013-06-20
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Single, Double and Quadruple Alanine Substitutions at Oligomeric Interfaces Identify Hydrophobicity as the Key Determinant of Human Neutrophil Alpha Defensin HNP1 Function.
Plos One, 8, 2013
4LBB
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BU of 4lbb by Molmil
Crystal structure of human alpha-defensin 1 (HNP1) I20A mutant
Descriptor: CHLORIDE ION, Neutrophil defensin 1
Authors:Tolbert, W.D, Wu, X, Pazgier, M.
Deposit date:2013-06-20
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.719 Å)
Cite:Single, Double and Quadruple Alanine Substitutions at Oligomeric Interfaces Identify Hydrophobicity as the Key Determinant of Human Neutrophil Alpha Defensin HNP1 Function.
Plos One, 8, 2013
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