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5GVL
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BU of 5gvl by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and GS182
分子名称: (4~{S})-6-azanyl-4-[3-cyano-5-[5-(methoxymethyl)thiophen-2-yl]phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G.
登録日2016-09-06
公開日2017-07-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures
J. Med. Chem., 60, 2017
5GVM
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BU of 5gvm by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and GS557
分子名称: 2-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]ethanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G.
登録日2016-09-06
公開日2017-07-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures
J. Med. Chem., 60, 2017
4KMS
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BU of 4kms by Molmil
Crystal structure of Acetoacetyl-CoA reductase from Rickettsia felis
分子名称: Acetoacetyl-CoA reductase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID), Abendroth, J, Lukacs, C, Edwards, T.E, Lorimer, D.
登録日2013-05-08
公開日2013-05-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of acetoacetyl-CoA reductase from Rickettsia felis.
Acta Crystallogr.,Sect.F, 77, 2021
5GVK
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BU of 5gvk by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and GS256
分子名称: 5-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-cyano-phenyl]-~{N},~{N}-dimethyl-thiophene-2-sulfonamide, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G.
登録日2016-09-06
公開日2017-07-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures
J. Med. Chem., 60, 2017
4J47
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BU of 4j47 by Molmil
Crystal structure of XIAP-BIR2 domain with SVPI bound
分子名称: E3 ubiquitin-protein ligase XIAP, PEPTIDE (SER-VAL-PRO-ILE), ZINC ION
著者Lukacs, C.M, Janson, C.A.
登録日2013-02-06
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献The structure of XIAP BIR2: understanding the selectivity of the BIR domains.
Acta Crystallogr.,Sect.D, 69, 2013
5FR6
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BU of 5fr6 by Molmil
The structure of polycomb ULD complex
分子名称: POLYCOMB COMPLEX PROTEIN BMI-1
著者Gray, F, Cho, H.J, Cierpicki, T.
登録日2015-12-15
公開日2016-11-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Bmi1 Regulates Prc1 Architecture and Activity Through Homo-and Hetero-Oligomerization
Nat.Commun., 7, 2016
8UPA
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BU of 8upa by Molmil
Structure of gp130 in complex with a de novo designed IL-6 mimetic
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, De novo designed IL-6 mimetic, Interleukin-6 receptor subunit beta, ...
著者Borowska, M.T, Jude, K.M, Garcia, K.C.
登録日2023-10-22
公開日2024-08-28
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献De novo design of miniprotein antagonists of cytokine storm inducers.
Nat Commun, 15, 2024
3HZI
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BU of 3hzi by Molmil
Structure of mdt protein
分子名称: 5'-D(*DAP*DCP*DTP*DAP*DTP*DCP*DCP*DCP*DCP*DTP*DTP*DAP*DAP*DGP*DGP*DGP*DGP*DAP*DTP*DAP*DG)-3', ADENOSINE-5'-TRIPHOSPHATE, HTH-type transcriptional regulator hipB, ...
著者Schumacher, M.A.
登録日2009-06-23
公開日2009-07-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Molecular mechanisms of HipA-mediated multidrug tolerance and its neutralization by HipB.
Science, 323, 2009
6K9H
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BU of 6k9h by Molmil
Human LXR-beta in complex with an agonist
分子名称: Oxysterols receptor LXR-beta, ~{tert}-butyl (2'~{S},3~{S})-2-oxidanylidene-2'-phenyl-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate
著者Zhang, Z, Zhou, H.
登録日2019-06-15
公開日2020-04-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of new LXR beta agonists as glioblastoma inhibitors.
Eur.J.Med.Chem., 194, 2020
1A19
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BU of 1a19 by Molmil
BARSTAR (FREE), C82A MUTANT
分子名称: BARSTAR
著者Ratnaparkhi, G.S, Varadarajan, R.
登録日1997-12-25
公開日1998-04-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Discrepancies between the NMR and X-ray structures of uncomplexed barstar: analysis suggests that packing densities of protein structures determined by NMR are unreliable.
Biochemistry, 37, 1998
4Q13
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BU of 4q13 by Molmil
Apo Estrogen Receptor Alpha Ligand Binding Domain D538G Mutant with a glucocorticoid receptor-interacting protein 1 NR box II peptide
分子名称: Estrogen receptor, Glucocorticoid receptor-interacting protein 1 NR box II peptide
著者Fanning, S.W, Panchamukhi, S, Greene, G.L.
登録日2014-04-02
公開日2015-04-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Estrogen receptor alpha somatic mutations Y537S and D538G confer breast cancer endocrine resistance by stabilizing the activating function-2 binding conformation.
Elife, 5, 2016
4PXM
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BU of 4pxm by Molmil
The Estrogen Receptor Alpha Ligand Binding Domain D538G Mutant in Complex with Estradiol and a glucocorticoid receptor-interacting protein 1 NR box II peptide
分子名称: ESTRADIOL, Estrogen receptor, Nuclear receptor coactivator 2
著者Fanning, S.W, Panchamukhi, S, Greene, G.L.
登録日2014-03-24
公開日2015-04-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Estrogen receptor alpha somatic mutations Y537S and D538G confer breast cancer endocrine resistance by stabilizing the activating function-2 binding conformation.
Elife, 5, 2016
6K9G
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BU of 6k9g by Molmil
Human LXR-beta in complex with an agonist
分子名称: Oxysterols receptor LXR-beta, ~{tert}-butyl (2'~{R},3~{R})-2'-[3-[4-(hydroxymethyl)-3-methylsulfonyl-phenyl]phenyl]-2-oxidanylidene-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate
著者Zhang, Z, Zhou, H.
登録日2019-06-15
公開日2020-04-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of new LXR beta agonists as glioblastoma inhibitors.
Eur.J.Med.Chem., 194, 2020
6IHG
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BU of 6ihg by Molmil
N terminal domain of Mycobacterium avium complex Lon protease
分子名称: Lon protease
著者Chen, X.Y, Zhang, S.J, Bi, F.K, Guo, C.Y, Yao, H.W, Lin, D.H.
登録日2018-09-29
公開日2019-08-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.397 Å)
主引用文献Crystal structure of the N domain of Lon protease from Mycobacterium avium complex.
Protein Sci., 28, 2019
7X27
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BU of 7x27 by Molmil
MERS-CoV spike complex
分子名称: Spike glycoprotein
著者Zeng, J.W, Zhang, S.Y, Wang, X.W.
登録日2022-02-25
公開日2023-03-22
実験手法ELECTRON MICROSCOPY (2.49 Å)
主引用文献cryo-EM structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein
To Be Published
4Q50
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BU of 4q50 by Molmil
The Estrogen Receptor Alpha Ligand Binding Domain D538G Mutant in Complex with 4-hydroxytamoxifen
分子名称: 4-HYDROXYTAMOXIFEN, Estrogen receptor, SULFATE ION
著者Fanning, S.W, Greene, G.L.
登録日2014-04-15
公開日2015-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Estrogen receptor alpha somatic mutations Y537S and D538G confer breast cancer endocrine resistance by stabilizing the activating function-2 binding conformation.
Elife, 5, 2016
4J45
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BU of 4j45 by Molmil
Crystal structure of XIAP-BIR2 domain with ATAA bound
分子名称: E3 ubiquitin-protein ligase XIAP, PEPTIDE (ALA-THR-ALA-ALA), ZINC ION
著者Lukacs, C.M, Janson, C.A.
登録日2013-02-06
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献The structure of XIAP BIR2: understanding the selectivity of the BIR domains.
Acta Crystallogr.,Sect.D, 69, 2013
7JHX
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BU of 7jhx by Molmil
Crystal structure of hEPG5 LIR/GABARAPL1 complex
分子名称: Ectopic P granules protein 5 homolog, Gamma-aminobutyric acid receptor-associated protein-like 1, SULFATE ION
著者Cheung, Y.W.S, Yip, C.K.
登録日2020-07-21
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Insights on autophagosome-lysosome tethering from structural and biochemical characterization of human autophagy factor EPG5.
Commun Biol, 4, 2021
7UIB
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BU of 7uib by Molmil
Crystal structure of BoNT/E receptor binding domain in complex with SV2, VHH, and sialic acid
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-beta-neuraminic acid, ...
著者Liu, Z, Jin, R, Chen, P.
登録日2022-03-29
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Structural basis for botulinum neurotoxin E recognition of synaptic vesicle protein 2.
Nat Commun, 14, 2023
7UIA
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BU of 7uia by Molmil
Crystal structure of BoNT/E receptor binding domain in complex with SV2 and VHH
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
著者Liu, Z, Jin, R, Chen, P.
登録日2022-03-28
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structural basis for botulinum neurotoxin E recognition of synaptic vesicle protein 2.
Nat Commun, 14, 2023
7UIE
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BU of 7uie by Molmil
Crystal structure of HcE-JLE-G6
分子名称: Botulinum neurotoxin E heavy chain, JLE-G6
著者Jin, R, Lam, K.
登録日2022-03-29
公開日2023-04-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.23 Å)
主引用文献Structural basis for botulinum neurotoxin E recognition of synaptic vesicle protein 2.
Nat Commun, 14, 2023
7DXJ
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BU of 7dxj by Molmil
Human 46QHuntingtin-HAP40 complex structure
分子名称: 40-kDa huntingtin-associated protein, Huntingtin
著者Guo, Q, Fernandez-Busnadiego, R.
登録日2021-01-19
公開日2021-03-24
最終更新日2021-10-06
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Pathological polyQ expansion does not alter the conformation of the Huntingtin-HAP40 complex.
Structure, 29, 2021
7DXK
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BU of 7dxk by Molmil
Human 128QHuntingtin-HAP40 complex structure
分子名称: 40-kDa huntingtin-associated protein, Huntingtin
著者Guo, Q, Fernandez-Busnadiego, R.
登録日2021-01-19
公開日2021-03-24
最終更新日2021-10-06
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Pathological polyQ expansion does not alter the conformation of the Huntingtin-HAP40 complex.
Structure, 29, 2021
3FBR
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BU of 3fbr by Molmil
structure of HipA-amppnp-peptide
分子名称: PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Serine/threonine-protein kinase toxin HipA, peptide of EF-Tu
著者Schumacher, M.A.
登録日2008-11-19
公開日2009-02-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Molecular mechanisms of HipA-mediated multidrug tolerance and its neutralization by HipB.
Science, 323, 2009
7XJX
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BU of 7xjx by Molmil
The cryo-EM structure of Fe3+ induced alpha-syn fibril.
分子名称: Alpha-synuclein
著者Zhao, Q.Y, Tao, Y.Q, Zhao, K, Tao, Y.Q, Li, D.
登録日2022-04-18
公開日2023-01-18
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural Insights of Fe3+ Induced alpha-synuclein Fibrillation in Parkinson' Disease
J.Mol.Biol., 435, 2023

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