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7XTT
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BU of 7xtt by Molmil
The structure of engineered TfCut S130A in complex with MHET
Descriptor: 1,2-ETHANEDIOL, 4-(2-hydroxyethyloxycarbonyl)benzoic acid, SODIUM ION, ...
Authors:Yang, Y, Jiang, P.C, Huang, J.W, Chen, C.-C, Guo, R.-T.
Deposit date:2022-05-18
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
2ZAK
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BU of 2zak by Molmil
Orthorhombic crystal structure of precursor E. coli isoaspartyl peptidase/L-asparaginase (EcAIII) with active-site T179A mutation
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, L-asparaginase precursor, ...
Authors:Michalska, K, Hernandez-Santoyo, A, Jaskolski, M.
Deposit date:2007-10-07
Release date:2008-03-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal packing of plant-type L-asparaginase from Escherichia coli
Acta Crystallogr.,Sect.D, 64, 2008
6BB3
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BU of 6bb3 by Molmil
Lactate Dehydrogenase in complex with inhibitor 3-((2-chlorophenyl)thio)-6-(6-((4-fluorophenyl)amino)pyridin-2-yl)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
Descriptor: (6R)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Chen, Z, Eigenbrot, C.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
2EW6
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BU of 2ew6 by Molmil
Structure of Helicobacter Pylori peptide deformylase in complex with inhibitor
Descriptor: (2E)-3-(3,4-DIHYDROXYPHENYL)-N-[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE, COBALT (II) ION, peptide deformylase
Authors:Cai, J.
Deposit date:2005-11-02
Release date:2006-10-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
2H42
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BU of 2h42 by Molmil
Crystal structure of PDE5 in complex with sildenafil
Descriptor: 5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-1-METHYL-3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE, MAGNESIUM ION, ZINC ION, ...
Authors:Wang, H, Ke, H.
Deposit date:2006-05-23
Release date:2006-06-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Multiple Conformations of Phosphodiesterase-5: Implications for enzyme function and drug development
J.Biol.Chem., 281, 2006
2H44
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BU of 2h44 by Molmil
Crystal structure of PDE5A1 in complex with icarisid II
Descriptor: 5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE, MAGNESIUM ION, ZINC ION, ...
Authors:Wang, H, Ke, H.
Deposit date:2006-05-23
Release date:2006-06-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Multiple Conformations of Phosphodiesterase-5: Implications for enzyme function and drug development
J.Biol.Chem., 281, 2006
2H5E
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BU of 2h5e by Molmil
Crystal structure of E.coli polypeptide release factor RF3
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Peptide chain release factor RF-3
Authors:Song, H.W, Zhou, Z.H.
Deposit date:2006-05-26
Release date:2007-05-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:RF3 induces ribosomal conformational changes responsible for dissociation of class I release factors
Cell(Cambridge,Mass.), 129, 2007
5GVA
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BU of 5gva by Molmil
WD40 domain of human AND-1
Descriptor: WD repeat and HMG-box DNA-binding protein 1
Authors:Guan, C.C, Li, J.
Deposit date:2016-09-04
Release date:2017-04-19
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:The structure and polymerase-recognition mechanism of the crucial adaptor protein AND-1 in the human replisome
J. Biol. Chem., 292, 2017
2EW7
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BU of 2ew7 by Molmil
Crystal Structure of Helicobacter Pylori peptide deformylase
Descriptor: COBALT (II) ION, peptide deformylase
Authors:Cai, J.
Deposit date:2005-11-02
Release date:2006-10-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
5GVB
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BU of 5gvb by Molmil
SepB domain of human AND-1
Descriptor: WD repeat and HMG-box DNA-binding protein 1
Authors:Guan, C.C, Li, J.
Deposit date:2016-09-05
Release date:2017-04-19
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The structure and polymerase-recognition mechanism of the crucial adaptor protein AND-1 in the human replisome.
J. Biol. Chem., 292, 2017
6JUJ
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BU of 6juj by Molmil
Crystal structure of Formate dehydrogenase mutant V198I/C256I/P260S/E261P/S381N/S383F from Pseudomonas sp. 101in complex with non-natural cofactor Nicotinamide Cytosine Dinucleotide
Descriptor: Formate dehydrogenase, GLYCEROL, [[(2S,3S,4R,5S)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Authors:Feng, Y, Guo, X, Xue, S, Zhao, Z.
Deposit date:2019-04-14
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.183 Å)
Cite:Structure-Guided Design of Formate Dehydrogenase for Regeneration of a Non-Natural Redox Cofactor.
Chemistry, 26, 2020
2GYX
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BU of 2gyx by Molmil
Crystal structure of DB884- D(CGCGAATTCGCG)2 complex at 1.86 A resolution.
Descriptor: 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION, N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-PHENYLENE)DIBENZENECARBOXIMIDAMIDE
Authors:Lee, M.P.H, Neidle, S.
Deposit date:2006-05-10
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Induced fit conformational changes of a "reversed amidine" heterocycle: optimized interactions in a DNA minor groove complex.
J.Am.Chem.Soc., 129, 2007
3TV3
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BU of 3tv3 by Molmil
Crystal structure of broad and potent HIV-1 neutralizing antibody PGT128 in complex with Man9
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AMYLAMINE, GLYCEROL, ...
Authors:Pejchal, R, Wilson, I.A.
Deposit date:2011-09-19
Release date:2011-10-19
Last modified:2021-04-28
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:A potent and broad neutralizing antibody recognizes and penetrates the HIV glycan shield.
Science, 334, 2011
3L15
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BU of 3l15 by Molmil
Human Tead2 transcriptional factor
Descriptor: GLYCEROL, Transcriptional enhancer factor TEF-4
Authors:Tomchick, D.R, Luo, X, Tian, W.
Deposit date:2009-12-10
Release date:2010-04-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional analysis of the YAP-binding domain of human TEAD2.
Proc.Natl.Acad.Sci.USA, 107, 2010
7W7P
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BU of 7w7p by Molmil
Cryo-EM structure of gMCM8/9 helicase
Descriptor: DNA helicase MCM8, DNA helicase MCM9
Authors:Zheng, J.F, Weng, Z.F, Liu, Y.F.
Deposit date:2021-12-06
Release date:2023-05-24
Last modified:2023-12-06
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:Structural and mechanistic insights into the MCM8/9 helicase complex.
Elife, 12, 2023
7TEU
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BU of 7teu by Molmil
Crystal structure of JAK2 JH1 with type II inhibitor YLIU-04-105-1
Descriptor: 3-{(4S)-2-[(cyclopropanecarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}-N-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}-4-methylbenzamide, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Hubbard, S.R.
Deposit date:2022-01-05
Release date:2023-06-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:New scaffolds for type II JAK2 inhibitors overcome the acquired G993A resistance mutation.
Cell Chem Biol, 30, 2023
5YYL
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BU of 5yyl by Molmil
Structure of Major Royal Jelly Protein 1 Oligomer
Descriptor: (3beta,14beta,17alpha)-ergosta-5,24(28)-dien-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Tian, W, Chen, Z.
Deposit date:2017-12-10
Release date:2018-08-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Architecture of the native major royal jelly protein 1 oligomer.
Nat Commun, 9, 2018
7UAD
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BU of 7uad by Molmil
Crystal structure of human PTPN2 with inhibitor ABBV-CLS-484
Descriptor: 5-{(7R)-1-fluoro-3-hydroxy-7-[(3-methylbutyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl}-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione, Tyrosine-protein phosphatase non-receptor type 2
Authors:Longenecker, K.L, Qiu, W, Sun, Q, Frost, J.M.
Deposit date:2022-03-12
Release date:2023-07-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.044 Å)
Cite:The PTPN2/PTPN1 inhibitor ABBV-CLS-484 unleashes potent anti-tumour immunity.
Nature, 622, 2023
7XG1
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BU of 7xg1 by Molmil
CryoEM structure of type IV-A Csf-crRNA binary complex
Descriptor: Csf1, Csf2, Csf3, ...
Authors:Zhang, J.T, Cui, N, Huang, H.D, Jia, N.
Deposit date:2022-04-02
Release date:2023-08-02
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment
Mol.Cell, 83, 2023
7XG3
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BU of 7xg3 by Molmil
CryoEM structure of type IV-A CasDinG bound NTS-nicked Csf-crRNA-dsDNA quaternary complex
Descriptor: Csf1, Csf2, Csf3, ...
Authors:Zhang, J.T, Cui, N, Huang, H.D, Jia, N.
Deposit date:2022-04-02
Release date:2023-08-09
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment.
Mol.Cell, 83, 2023
7XFZ
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BU of 7xfz by Molmil
CryoEM structure of type IV-A Csf-crRNAsp14-dsDNA ternary complex
Descriptor: Csf1, Csf2, Csf3, ...
Authors:Zhang, J.T, Cui, N, Huang, H.D, Jia, N.
Deposit date:2022-04-02
Release date:2023-08-09
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment.
Mol.Cell, 83, 2023
7XG0
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BU of 7xg0 by Molmil
CryoEM structure of type IV-A Csf-crRNA-dsDNA ternary complex
Descriptor: Csf1, Csf2, Csf3, ...
Authors:Zhang, J.T, Cui, N, Huang, H.D, Jia, N.
Deposit date:2022-04-02
Release date:2023-08-09
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment.
Mol.Cell, 83, 2023
7XG4
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BU of 7xg4 by Molmil
CryoEM structure of type IV-A CasDinG bound NTS-nicked Csf-crRNA-dsDNA quaternary complex in a second state
Descriptor: Csf1, Csf2, Csf3, ...
Authors:Zhang, J.T, Cui, N, Huang, H.D, Jia, N.
Deposit date:2022-04-02
Release date:2023-08-09
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment.
Mol.Cell, 83, 2023
7XG2
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BU of 7xg2 by Molmil
CryoEM structure of type IV-A NTS-nicked dsDNA bound Csf-crRNA ternary complex
Descriptor: Csf1, Csf2, Csf3, ...
Authors:Zhang, J.T, Cui, N, Huang, H.D, Jia, N.
Deposit date:2022-04-02
Release date:2023-08-09
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment.
Mol.Cell, 83, 2023
8GEL
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BU of 8gel by Molmil
Cryo-EM structure of synthetic tetrameric building block sC4
Descriptor: sC4
Authors:Redler, R.L, Huddy, T.F, Hsia, Y, Baker, D, Ekiert, D, Bhabha, G.
Deposit date:2023-03-07
Release date:2024-03-13
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Blueprinting extendable nanomaterials with standardized protein blocks.
Nature, 627, 2024

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數據於2024-07-24公開中

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