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5KZI
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BU of 5kzi by Molmil
Crystal structure of human Pim-1 kinase in complex with an imidazopyridazine inhibitor.
Descriptor: Serine/threonine-protein kinase pim-1, ~{N}-[4-[(3~{S})-3-azanylpiperidin-1-yl]pyridin-3-yl]-2-[2,6-bis(fluoranyl)phenyl]imidazo[1,5-b]pyridazin-7-amine
Authors:Mohr, C.
Deposit date:2016-07-25
Release date:2016-11-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of imidazopyridazines as potent Pim-1/2 kinase inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
4TY1
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BU of 4ty1 by Molmil
Crystal structure of human Pim-1 kinase in complex with an aminooxadiazole-indole inhibitor.
Descriptor: GLYCEROL, N-tert-butyl-5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine, Serine/threonine-protein kinase pim-1
Authors:Mohr, C.
Deposit date:2014-07-07
Release date:2015-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The discovery and optimization of aminooxadiazoles as potent Pim kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
6M6E
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BU of 6m6e by Molmil
Solution structure of the core domain of Fibroblast growth factor 21 (FGF21)
Descriptor: Fibroblast growth factor 21
Authors:Zhu, L, Zhao, H, Wang, J.
Deposit date:2020-03-14
Release date:2021-01-20
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Dynamic folding modulation generates FGF21 variant against diabetes.
Embo Rep., 22, 2021
6M6F
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BU of 6m6f by Molmil
Solution structure of disulfide bond mutaion of the core domain of Fibroblast growth factor 21 (FGF21)
Descriptor: Fibroblast growth factor 21
Authors:Zhu, L, Zhao, H, Wang, J.
Deposit date:2020-03-14
Release date:2021-01-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Dynamic folding modulation generates FGF21 variant against diabetes.
Embo Rep., 22, 2021
1JDQ
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BU of 1jdq by Molmil
Solution Structure of TM006 Protein from Thermotoga maritima
Descriptor: HYPOTHETICAL PROTEIN TM0983
Authors:Denisov, A.Y, Finak, G, Yee, A, Kozlov, G, Gehring, K, Arrowsmith, C.H.
Deposit date:2001-06-14
Release date:2002-02-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:An NMR approach to structural proteomics.
Proc.Natl.Acad.Sci.USA, 99, 2002
8BQU
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BU of 8bqu by Molmil
Molecular basis of ZP3/ZP1 heteropolymerization: crystal structure of a native vertebrate egg coat filament
Descriptor: Choriogenin H, Zona pellucida sperm-binding protein 3, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Bokhove, M, de Sanctis, D, Yasumasu, S, Jovine, L.
Deposit date:2022-11-21
Release date:2024-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
1JCU
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BU of 1jcu by Molmil
Solution Structure of MTH1692 Protein from Methanobacterium thermoautotrophicum
Descriptor: conserved protein MTH1692
Authors:Kozlov, G, Ekiel, I, Gehring, K.
Deposit date:2001-06-11
Release date:2002-07-24
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:An NMR approach to structural proteomics.
Proc.Natl.Acad.Sci.USA, 99, 2002
1JRM
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BU of 1jrm by Molmil
NMR structure of MTH0637. Ontario Centre for Structural Proteomics target MTH0637_1_104; Northeast Structural Genomics Target TT135
Descriptor: CONSERVED HYPOTHETICAL PROTEIN mth637
Authors:Pineda-Lucena, A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2001-08-14
Release date:2002-02-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:An NMR approach to structural proteomics.
Proc.Natl.Acad.Sci.USA, 99, 2002
1JW3
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BU of 1jw3 by Molmil
Solution Structure of Methanobacterium Thermoautotrophicum Protein 1598. Ontario Centre for Structural Proteomics target MTH1598_1_140; Northeast Structural Genomics Target TT6
Descriptor: Conserved Hypothetical Protein MTH1598
Authors:Chang, X, Connelly, G, Yee, A, Kennedy, M.A, Edwards, A.M, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG)
Deposit date:2001-09-02
Release date:2002-02-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:An NMR approach to structural proteomics.
Proc.Natl.Acad.Sci.USA, 99, 2002
1JE3
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BU of 1je3 by Molmil
Solution Structure of EC005 from Escherichia coli
Descriptor: HYPOTHETICAL 8.6 KDA PROTEIN IN AMYA-FLIE INTERGENIC REGION
Authors:Yee, A, Gutierrez, P, Kozlov, G, Denisov, A, Gehring, K, Arrowsmith, C.
Deposit date:2001-06-15
Release date:2002-03-06
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:An NMR approach to structural proteomics.
Proc.Natl.Acad.Sci.USA, 99, 2002
1JW2
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BU of 1jw2 by Molmil
SOLUTION STRUCTURE OF HEMOLYSIN EXPRESSION MODULATING PROTEIN Hha FROM ESCHERICHIA COLI. Ontario Centre for Structural Proteomics target EC0308_1_72; Northeast Structural Genomics Target ET88
Descriptor: HEMOLYSIN EXPRESSION MODULATING PROTEIN Hha
Authors:Chang, X, Yee, A, Savchenko, A, Edwards, A.M, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG)
Deposit date:2001-09-02
Release date:2002-02-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:An NMR approach to structural proteomics
Proc.Natl.Acad.Sci.USA, 99, 2002
4FLH
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BU of 4flh by Molmil
Crystal structure of human PI3K-gamma in complex with AMG511
Descriptor: 4-(2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-{(1R)-1-[4-(methylsulfonyl)piperazin-1-yl]ethyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Whittington, D.A, Tang, J, Yakowec, P.
Deposit date:2012-06-14
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Selective Class I Phosphoinositide 3-Kinase Inhibitors: Optimization of a Series of Pyridyltriazines Leading to the Identification of a Clinical Candidate, AMG 511.
J.Med.Chem., 55, 2012
4WRS
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BU of 4wrs by Molmil
Crystal structure of human Pim-1 kinase in complex with an azaspiro pyrazinyl-indazole inhibitor.
Descriptor: 3-{6-[(4R)-6-azaspiro[2.5]oct-4-yloxy]pyrazin-2-yl}-5-(2,6-difluorophenyl)-1H-indazole, GLYCEROL, Serine/threonine-protein kinase pim-1
Authors:Mohr, C.
Deposit date:2014-10-25
Release date:2015-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The discovery of novel 3-(pyrazin-2-yl)-1H-indazoles as potent pan-Pim kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
6N4Z
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BU of 6n4z by Molmil
Tetragonal thermolysin (with 50% xylose) plunge cooled in liquid nitrogen to 77 K
Descriptor: CALCIUM ION, Thermolysin, ZINC ION, ...
Authors:Juers, D.H, Harrison, K, Wu, B.
Deposit date:2018-11-20
Release date:2019-10-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A comparison of gas stream cooling and plunge cooling of macromolecular crystals.
J.Appl.Crystallogr., 52, 2019
8I3S
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BU of 8i3s by Molmil
Local CryoEM structure of the SARS-CoV-2 S6P in complex with 7B3 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain od Fab 7B3, Light chain of Fab 7B3, ...
Authors:Li, Z, Yu, F, Cao, S, ZHao, H.
Deposit date:2023-01-17
Release date:2023-10-04
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Broadly neutralizing antibodies derived from the earliest COVID-19 convalescents protect mice from SARS-CoV-2 variants challenge.
Signal Transduct Target Ther, 8, 2023
8I3U
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BU of 8i3u by Molmil
Local CryoEM structure of the SARS-CoV-2 S6P in complex with 14B1 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 14B1, Light chain of Fab 14B1, ...
Authors:Li, Z, Yu, F, Cao, S.
Deposit date:2023-01-18
Release date:2023-10-04
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Broadly neutralizing antibodies derived from the earliest COVID-19 convalescents protect mice from SARS-CoV-2 variants challenge.
Signal Transduct Target Ther, 8, 2023
6N4W
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BU of 6n4w by Molmil
Tetragonal thermolysin (with 50% xylose) cryocooled in a nitrogen gas stream to 100 K
Descriptor: CALCIUM ION, Thermolysin, ZINC ION, ...
Authors:Juers, D.H, Harrison, K, Wu, B.
Deposit date:2018-11-20
Release date:2019-10-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A comparison of gas stream cooling and plunge cooling of macromolecular crystals.
J.Appl.Crystallogr., 52, 2019
8RKI
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BU of 8rki by Molmil
Molecular basis of ZP3/ZP1 heteropolymerization: crystal structure of a native vertebrate egg coat filament fragment
Descriptor: Choriogenin H, YTTERBIUM (III) ION, Zona pellucida sperm-binding protein 3, ...
Authors:Wiseman, B, Zamora-Caballero, S, de Sanctis, D, Yasumasu, S, Jovine, L.
Deposit date:2023-12-25
Release date:2024-03-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
8IS5
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BU of 8is5 by Molmil
Structure of an Isocytosine specific deaminase Vcz with close state
Descriptor: Hydroxydechloroatrazine ethylaminohydrolase, SULFATE ION, ZINC ION
Authors:Guo, W.T, Li, X.J, Wu, B.X.
Deposit date:2023-03-20
Release date:2023-08-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural characterization of an isocytosine-specific deaminase VCZ reveals its application potential in the anti-cancer therapy.
Iscience, 26, 2023
8IS4
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BU of 8is4 by Molmil
Structure of an Isocytosine specific deaminase Vcz in complexed with 5-FU
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-FLUOROURACIL, GLYCEROL, ...
Authors:Guo, W.T, Li, X.J, Wu, B.X.
Deposit date:2023-03-20
Release date:2023-08-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural characterization of an isocytosine-specific deaminase VCZ reveals its application potential in the anti-cancer therapy.
Iscience, 26, 2023
5JRE
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BU of 5jre by Molmil
Crystal structure of NeC3PO in complex with ssDNA.
Descriptor: 9-METHYL-9H-PURIN-6-AMINE, ADENINE, NEQ131, ...
Authors:Gan, J, Zhang, J.
Deposit date:2016-05-06
Release date:2016-09-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for single-stranded RNA recognition and cleavage by C3PO
Nucleic Acids Res., 44, 2016
5JRC
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BU of 5jrc by Molmil
Crystal structure of NeC3PO in complex with ssRNA.
Descriptor: CALCIUM ION, NEQ131, ssRNA
Authors:Zhang, J, Gan, J.
Deposit date:2016-05-06
Release date:2016-09-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for single-stranded RNA recognition and cleavage by C3PO
Nucleic Acids Res., 44, 2016
5JR9
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BU of 5jr9 by Molmil
Crystal structure of apo-NeC3PO
Descriptor: NEQ131
Authors:Zhang, J, Gan, J.
Deposit date:2016-05-06
Release date:2016-09-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for single-stranded RNA recognition and cleavage by C3PO
Nucleic Acids Res., 44, 2016
4RPV
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BU of 4rpv by Molmil
co-crystal structure of Pim1 with compound 3
Descriptor: (3S)-1-{6-[5-(2,6-difluorophenyl)-2H-indazol-3-yl]pyrazin-2-yl}piperidin-3-amine, Serine/threonine-protein kinase pim-1
Authors:Huang, X.
Deposit date:2014-10-31
Release date:2015-02-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:The discovery of novel 3-(pyrazin-2-yl)-1H-indazoles as potent pan-Pim kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4RL5
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BU of 4rl5 by Molmil
Crystal structure of the Arabidopsis exocyst subunit exo70 family protein A1
Descriptor: Exocyst complex component EXO70A1
Authors:Zhang, Z.-M, Zhang, C, Song, J.
Deposit date:2014-10-15
Release date:2015-11-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Endosidin2 targets conserved exocyst complex subunit EXO70 to inhibit exocytosis.
Proc.Natl.Acad.Sci.USA, 113, 2016

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