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4XFQ
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BU of 4xfq by Molmil
Crystal Structure Basis for PEDV 3C Like Protease
Descriptor: PEDV main protease
Authors:Ye, G, Fu, Z.F, Peng, G.Q.
Deposit date:2014-12-28
Release date:2016-01-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural basis for the dimerization and substrate recognition specificity of porcine epidemic diarrhea virus 3C-like protease.
Virology, 494, 2016
3JVH
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BU of 3jvh by Molmil
Crystal structure of 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with FOL fragment 8395
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5-[(pyridin-3-ylmethyl)amino]-1H-pyrazole-4-carboxamide, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-09-16
Release date:2009-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
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
3WB9
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BU of 3wb9 by Molmil
Crystal Structures of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum
Descriptor: Diaminopimelate dehydrogenase, GLYCEROL
Authors:Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M.
Deposit date:2013-05-14
Release date:2014-03-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum.
Chembiochem, 15, 2014
3WBF
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BU of 3wbf by Molmil
Crystal Structure of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum co-crystallized with NADP+ and DAP
Descriptor: 2,6-DIAMINOPIMELIC ACID, Diaminopimelate dehydrogenase, GLYCEROL, ...
Authors:Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M.
Deposit date:2013-05-15
Release date:2014-03-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum.
Chembiochem, 15, 2014
3WBB
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BU of 3wbb by Molmil
Crystal Structures of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum
Descriptor: Diaminopimelate dehydrogenase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M.
Deposit date:2013-05-14
Release date:2014-03-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum.
Chembiochem, 15, 2014
7FIM
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BU of 7fim by Molmil
Cryo-EM structure of the tirzepatide (LY3298176)-bound human GLP-1R-Gs complex
Descriptor: Glucagon-like peptide 1 receptor,Glucagon-like peptide 1 receptor,Glucagon-like peptide 1 receptor,Glucagon-like peptide 1 receptor,human glucagon like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W.
Deposit date:2021-07-31
Release date:2022-03-02
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
7VAB
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BU of 7vab by Molmil
Cryo-EM structure of the non-acylated tirzepatide (LY3298176)-bound human GIPR-Gs complex
Descriptor: CHOLESTEROL, Gastric inhibitory polypeptide receptor,Gastric inhibitory polypeptide receptor,Gastric inhibitory polypeptide receptor,human glucose-dependent insulinotropic polypeptide receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W.
Deposit date:2021-08-28
Release date:2022-03-02
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
7VBI
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BU of 7vbi by Molmil
Cryo-EM structure of the non-acylated tirzepatide (LY3298176)-bound human GLP-1R-Gs complex
Descriptor: Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W.
Deposit date:2021-08-31
Release date:2022-03-02
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
7VBH
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BU of 7vbh by Molmil
Cryo-EM structure of the GIPR/GLP-1R/GCGR triagonist peptide 20-bound human GLP-1R-Gs complex
Descriptor: Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W.
Deposit date:2021-08-31
Release date:2022-04-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
7V35
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BU of 7v35 by Molmil
Cryo-EM structure of the GIPR/GLP-1R/GCGR triagonist peptide 20-bound human GCGR-Gs complex
Descriptor: Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Zhao, F.h, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W.
Deposit date:2021-08-10
Release date:2022-03-02
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
6DMM
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BU of 6dmm by Molmil
Crystal structure of the G23A mutant of human alpha defensin HNP4.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Neutrophil defensin 4, SULFATE ION
Authors:Gohain, N, Tolbert, W.D, Pazgier, M.
Deposit date:2018-06-05
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Systematic mutational analysis of human neutrophil alpha-defensin HNP4.
Biochim Biophys Acta Biomembr, 1861, 2019
6DRM
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BU of 6drm by Molmil
OTU domain of Fam105A
Descriptor: Inactive ubiquitin thioesterase FAM105A
Authors:Ceccarelli, D.F, Sicheri, F, Cordes, S.
Deposit date:2018-06-12
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:FAM105A/OTULINL Is a Pseudodeubiquitinase of the OTU-Class that Localizes to the ER Membrane.
Structure, 27, 2019
6DMQ
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BU of 6dmq by Molmil
Crystal structure of the T27A mutant of human alpha defensin HNP4.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Neutrophil defensin 4
Authors:Gohain, N, Tolbert, W.D, Pazgier, M.
Deposit date:2018-06-05
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Systematic mutational analysis of human neutrophil alpha-defensin HNP4.
Biochim Biophys Acta Biomembr, 1861, 2019
4E86
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BU of 4e86 by Molmil
Crystal structure of human alpha-defensin 5, HD5 (Leu29Aba mutant)
Descriptor: CHLORIDE ION, Defensin-5
Authors:Wu, X, Pazgier, M.
Deposit date:2012-03-19
Release date:2012-05-16
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Functional determinants of human enteric {alpha}-defensin HD5: crucial role for hydrophobicity at dimer interface.
J.Biol.Chem., 287, 2012
4E83
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BU of 4e83 by Molmil
Crystal structure of human alpha-defensin 5, HD5 (Leu29NLe mutant)
Descriptor: CHLORIDE ION, Defensin-5
Authors:Pazgier, M.
Deposit date:2012-03-19
Release date:2012-05-16
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Functional determinants of human enteric {alpha}-defensin HD5: crucial role for hydrophobicity at dimer interface.
J.Biol.Chem., 287, 2012
4E82
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BU of 4e82 by Molmil
Crystal structure of monomeric variant of human alpha-defensin 5, HD5 (Glu21EMe mutant)
Descriptor: Defensin-5
Authors:Pazgier, M.
Deposit date:2012-03-19
Release date:2012-05-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Functional determinants of human enteric {alpha}-defensin HD5: crucial role for hydrophobicity at dimer interface.
J.Biol.Chem., 287, 2012
4HIS
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BU of 4his by Molmil
The Structure of V122I Mutant Transthyretin in Complex with Tafamidis
Descriptor: 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin
Authors:Connelly, S, Alhamadsheh, M, Graef, I, Wilson, I.A.
Deposit date:2012-10-11
Release date:2013-06-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:AG10 inhibits amyloidogenesis and cellular toxicity of the familial amyloid cardiomyopathy-associated V122I transthyretin.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HTU
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BU of 4htu by Molmil
Structure of 5-chlorouracil modified A:U base pair
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*(UCL)P*CP*GP*CP*G)-3'), GLYCEROL, ...
Authors:Patra, A, Egli, M.
Deposit date:2012-11-01
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.489 Å)
Cite:Structure, stability and function of 5-chlorouracil modified A:U and G:U base pairs.
Nucleic Acids Res., 41, 2013
4HIQ
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BU of 4hiq by Molmil
The Structure of V122I Mutant Transthyretin in Complex with AG10
Descriptor: 3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid, Transthyretin
Authors:Connelly, S, Alhamadsheh, M, Graef, I, Wilson, I.A.
Deposit date:2012-10-11
Release date:2013-06-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:AG10 inhibits amyloidogenesis and cellular toxicity of the familial amyloid cardiomyopathy-associated V122I transthyretin.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HUF
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BU of 4huf by Molmil
Structure of 5-chlorouracil modified A:U base pair
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*CP*GP*AP*AP*(UCL)P*TP*CP*GP*CP*G)-3'), GLYCEROL, ...
Authors:Patra, A, Egli, M.
Deposit date:2012-11-02
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structure, stability and function of 5-chlorouracil modified A:U and G:U base pairs.
Nucleic Acids Res., 41, 2013
4HUG
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BU of 4hug by Molmil
Structure of 5-chlorouracil modified A:U base pairs
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*CP*GP*AP*AP*(UCL)P*(UCL)P*CP*GP*CP*G)-3'), GLYCEROL, ...
Authors:Patra, A, Egli, M.
Deposit date:2012-11-02
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structure, stability and function of 5-chlorouracil modified A:U and G:U base pairs.
Nucleic Acids Res., 41, 2013
4HYI
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BU of 4hyi by Molmil
X-RAY Crystal structure of compound 40 bound to human chk1 kinase domain
Descriptor: 2-(1H-indazol-1-yl)-N-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide, GLYCEROL, Serine/threonine-protein kinase Chk1
Authors:Fischmann, T.O.
Deposit date:2012-11-13
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Structure-based design and optimization of 2-aminothiazole-4-carboxamide as a new class of CHK1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4HUE
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BU of 4hue by Molmil
Structure of 5-chlorouracil modified G:U base pair
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(UCL)P*GP*CP*G)-3'), GLYCEROL, MAGNESIUM ION, ...
Authors:Patra, A, Egli, M.
Deposit date:2012-11-02
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.561 Å)
Cite:Structure, stability and function of 5-chlorouracil modified A:U and G:U base pairs.
Nucleic Acids Res., 41, 2013
4HYH
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BU of 4hyh by Molmil
X-RAY Crystal structure of compound 39 bound to human chk1 kinase domain
Descriptor: 2-(6-methoxy-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-[4-(piperazin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase Chk1
Authors:Fischmann, T.O.
Deposit date:2012-11-13
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-based design and optimization of 2-aminothiazole-4-carboxamide as a new class of CHK1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013

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