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4LSD
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BU of 4lsd by Molmil
Myokine structure
Descriptor: Fibronectin type III domain-containing protein 5
Authors:Schumacher, M.A, Ohashi, T, Shah, R.S, Chinnam, N, Erickson, H.
Deposit date:2013-07-22
Release date:2013-10-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:The structure of irisin reveals a novel intersubunit beta-sheet fibronectin type III (FNIII) dimer: implications for receptor activation.
J.Biol.Chem., 288, 2013
2CK2
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BU of 2ck2 by Molmil
Structure of core-swapped mutant of fibronectin
Descriptor: ACETYL GROUP, HUMAN FIBRONECTIN
Authors:Ng, S.P, Billings, K.S, Ohashi, T, Allen, M.D, Best, R.B, Randles, L.G, Erickson, H.P, Clarke, J.
Deposit date:2006-04-10
Release date:2007-04-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Designing an Extracellular Matrix Protein with Enhanced Mechanical Stability
Proc.Natl.Acad.Sci.USA, 104, 2007
5YJX
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BU of 5yjx by Molmil
Structure of the Ndi1 protein from Saccharomyces cerevisiae in complex with myxothiazol.
Descriptor: (2Z,6E)-7-{2'-[(2E,4E)-1,6-DIMETHYLHEPTA-2,4-DIENYL]-2,4'-BI-1,3-THIAZOL-4-YL}-3,5-DIMETHOXY-4-METHYLHEPTA-2,6-DIENAMID E, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Yamasita, T, Inaoka, D.K, Shiba, T, Oohashi, T, Iwata, S, Yagi, T, Kosaka, H, Harada, S, Kita, K, Hirano, K.
Deposit date:2017-10-11
Release date:2018-02-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Ubiquinone binding site of yeast NADH dehydrogenase revealed by structures binding novel competitive- and mixed-type inhibitors
Sci Rep, 8, 2018
5YJY
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BU of 5yjy by Molmil
Structure of the Ndi1 protein from Saccharomyces cerevisiae in complex with AC0-12.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-dodecyl-1-oxidanidyl-quinolin-1-ium-4-ol, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Yamasita, T, Inaoka, D.K, Shiba, T, Oohashi, T, Iwata, S, Yagi, T, Kosaka, H, Harada, S, Kita, K, Hirano, K.
Deposit date:2017-10-11
Release date:2018-02-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Ubiquinone binding site of yeast NADH dehydrogenase revealed by structures binding novel competitive- and mixed-type inhibitors
Sci Rep, 8, 2018
5YJW
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BU of 5yjw by Molmil
Structure of the Ndi1 protein from Saccharomyces cerevisiae in complex with the competitive inhibitor, stigmatellin.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Yamasita, T, Inaoka, D.K, Shiba, T, Oohashi, T, Iwata, S, Yagi, T, Kosaka, H, Harada, S, Kita, K, Hirano, K.
Deposit date:2017-10-11
Release date:2018-02-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Ubiquinone binding site of yeast NADH dehydrogenase revealed by structures binding novel competitive- and mixed-type inhibitors
Sci Rep, 8, 2018
4DBN
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BU of 4dbn by Molmil
Crystal Structure of the Kinase domain of Human B-raf with a [1,3]thiazolo[5,4-b]pyridine derivative
Descriptor: 2-chloro-3-(1-cyanocyclopropyl)-N-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide, Serine/threonine-protein kinase B-raf
Authors:Yano, J.K, Aertgeerts, K.
Deposit date:2012-01-16
Release date:2012-04-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors. 1. Exploration of [5,6]-fused bicyclic scaffolds.
J.Med.Chem., 55, 2012
4FC0
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BU of 4fc0 by Molmil
Crystal Structure of Human Kinase Domain of B-raf with a DFG-out Inhibitor
Descriptor: 2-chloro-3-[(2-cyanopropan-2-yl)oxy]-N-{5-[{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}(methyl)amino]-2-fluorophenyl}benzamide, Serine/threonine-protein kinase B-raf
Authors:Yano, J.K, Aertgeerts, K.
Deposit date:2012-05-23
Release date:2014-01-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors: 3. Evaluation of 5-amino-linked thiazolo[5,4-d]pyrimidine and thiazolo[5,4-b]pyridine derivatives.
Bioorg.Med.Chem., 20, 2012
3W33
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BU of 3w33 by Molmil
EGFR kinase domain complexed with compound 19b
Descriptor: 4-{[4-(1-benzothiophen-4-yloxy)-3-chlorophenyl]amino}-N-(2-hydroxyethyl)-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide, Epidermal growth factor receptor, SULFATE ION
Authors:Sogabe, S, Kawakita, Y.
Deposit date:2012-12-07
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors
Bioorg.Med.Chem., 21, 2013
6UMK
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BU of 6umk by Molmil
Structure of E. coli FtsZ(L178E)-GDP complex
Descriptor: Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE
Authors:Schumacher, M.A.
Deposit date:2019-10-09
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:High-resolution crystal structures of Escherichia coli FtsZ bound to GDP and GTP.
Acta Crystallogr.,Sect.F, 76, 2020
6UNX
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BU of 6unx by Molmil
Structure of E. coli FtsZ(L178E)-GTP complex
Descriptor: Cell division protein FtsZ, GUANOSINE-5'-TRIPHOSPHATE
Authors:Schumacher, M.A.
Deposit date:2019-10-13
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High-resolution crystal structures of Escherichia coli FtsZ bound to GDP and GTP.
Acta Crystallogr.,Sect.F, 76, 2020
3VNT
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BU of 3vnt by Molmil
Crystal Structure of the Kinase domain of Human VEGFR2 with a [1,3]thiazolo[5,4-b]pyridine derivative
Descriptor: 1,2-ETHANEDIOL, 2-chloro-3-(1-cyanocyclopropyl)-N-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide, Vascular endothelial growth factor receptor 2
Authors:Oki, H.
Deposit date:2012-01-17
Release date:2012-04-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors. 1. Exploration of [5,6]-fused bicyclic scaffolds
J.Med.Chem., 55, 2012
3W32
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BU of 3w32 by Molmil
EGFR kinase domain complexed with compound 20a
Descriptor: 4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide, Epidermal growth factor receptor, SULFATE ION
Authors:Sogabe, S, Kawakita, Y.
Deposit date:2012-12-07
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors
Bioorg.Med.Chem., 21, 2013

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