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2FHF
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BU of 2fhf by Molmil
Crystal Structure Analysis of Klebsiella pneumoniae pullulanase complexed with maltotetraose
分子名称: Alpha-dextrin endo-1,6-alpha-glucosidase, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
著者Mikami, B, Iwamoto, H, Katsuya, Y, Yoon, H.-J, Demirkan-Sarikaya, E, Malle, D.
登録日2005-12-23
公開日2006-06-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of pullulanase: evidence for parallel binding of oligosaccharides in the active site
J.Mol.Biol., 359, 2006
6SHC
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BU of 6shc by Molmil
Crystal structure of human IRE1 luminal domain Q105C
分子名称: Serine/threonine-protein kinase/endoribonuclease IRE1
著者Yan, Y, Ron, D.
登録日2019-08-06
公開日2020-01-08
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.55 Å)
主引用文献Unstructured regions in IRE1 alpha specify BiP-mediated destabilisation of the luminal domain dimer and repression of the UPR.
Elife, 8, 2019
5N7W
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BU of 5n7w by Molmil
Computationally designed functional antibody
分子名称: Antibody Fragment Heavy Chain, Antibody Fragment Light Chain, Interleukin-17A
著者Hargreaves, D, Breed, J.
登録日2017-02-21
公開日2018-11-14
最終更新日2018-12-05
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Computational Design of Epitope-Specific Functional Antibodies.
Cell Rep, 25, 2018
5N8G
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BU of 5n8g by Molmil
Serial Cu nitrite reductase structures at elevated cryogenic temperature, 240K. Dataset 2.
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, SULFATE ION
著者Horrell, S, Kekilli, D, Hough, M, Strange, R.
登録日2017-02-23
公開日2017-07-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Active-site protein dynamics and solvent accessibility in native Achromobacter cycloclastes copper nitrite reductase.
IUCrJ, 4, 2017
6SDV
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BU of 6sdv by Molmil
W-formate dehydrogenase from Desulfovibrio vulgaris - Formate reduced form
分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, Formate dehydrogenase, ...
著者Oliveira, A.R, Mota, C, Mourato, C, Domingos, R.M, Santos, M.F.A, Gesto, D, Guigliarelli, B, Santos-Silva, T, Romao, M.J, Pereira, I.C.
登録日2019-07-29
公開日2020-03-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Towards the mechanistic understanding of enzymatic CO2 reduction
Acs Catalysis, 2020
1NW1
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BU of 1nw1 by Molmil
Crystal Structure of Choline Kinase
分子名称: CALCIUM ION, Choline kinase (49.2 kD)
著者Peisach, D, Gee, P, Kent, C, Xu, Z.
登録日2003-02-05
公開日2003-06-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献The Crystal Structure of Choline Kinase Reveals a Eukaryotic Protein Kinase Fold
Structure, 11, 2003
3VT1
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BU of 3vt1 by Molmil
Crystal structure of Ct1,3Gal43A in complex with galactose
分子名称: Ricin B lectin, beta-D-galactopyranose
著者Jiang, D, Fan, J, Wang, X, Zhao, Y, Huang, B, Zhang, X.C.
登録日2012-05-18
公開日2012-12-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.187 Å)
主引用文献Crystal structure of 1,3Gal43A, an exo-beta-1,3-galactanase from Clostridium thermocellum
J.Struct.Biol., 180, 2012
5NA1
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BU of 5na1 by Molmil
NADH:quinone oxidoreductase (NDH-II) from Staphylococcus aureus - holoprotein structure - 2.32 A resolution
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, MALONATE ION, NADH dehydrogenase-like protein SAOUHSC_00878, ...
著者Brito, J.A, Athayde, D, Sousa, F.M, Sena, F.V, Pereira, M.M, Archer, M.
登録日2017-02-27
公開日2018-01-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献The key role of glutamate 172 in the mechanism of type II NADH:quinone oxidoreductase of Staphylococcus aureus.
Biochim. Biophys. Acta, 1858, 2017
5NB3
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BU of 5nb3 by Molmil
High resolution C-phycoerythrin from marine cyanobacterium Phormidium sp. A09DM at pH 7.5
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
著者Sonani, R.R, Roszak, A.W, Ortmann de Percin Northumberland, C, Madamwar, D, Cogdell, R.J.
登録日2017-03-01
公開日2017-09-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献An improved crystal structure of C-phycoerythrin from the marine cyanobacterium Phormidium sp. A09DM.
Photosyn. Res., 135, 2018
2FM0
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BU of 2fm0 by Molmil
Crystal structure of PDE4D in complex with L-869298
分子名称: (S)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)-2-(5-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHY L)PYRIDINE 1-OXIDE, MAGNESIUM ION, ZINC ION, ...
著者Huai, Q, Sun, Y, Wang, H, Macdonald, D, Aspiotis, R, Robinson, H, Huang, Z, Ke, H.
登録日2006-01-06
公開日2006-03-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Enantiomer Discrimination Illustrated by the High Resolution Crystal Structures of Type 4 Phosphodiesterase
J.Med.Chem., 49, 2006
2FH1
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BU of 2fh1 by Molmil
C-terminal half of gelsolin soaked in low calcium at pH 4.5
分子名称: CALCIUM ION, Gelsolin
著者Chumnarnsilpa, S, Loonchanta, A, Xue, B, Choe, H, Urosev, D, Wang, H, Burtnick, L.D, Robinson, R.C.
登録日2005-12-23
公開日2006-06-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Calcium ion exchange in crystalline gelsolin
J.Mol.Biol., 357, 2006
5NK2
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BU of 5nk2 by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2b
分子名称: 1,2-ETHANEDIOL, Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide
著者Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日2017-03-31
公開日2017-06-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.649 Å)
主引用文献Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
1NOW
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BU of 1now by Molmil
Human lysosomal beta-hexosaminidase isoform B in complex with (2R,3R,4S,5R)-2-Acetamido-3,4-Dihydroxy-5-Hydroxymethyl-Piperidinium Chloride (GalNAc-isofagomine)
分子名称: (2R,3R,4S,5R)-2-ACETAMIDO-3,4-DIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Mark, B.L, Mahuran, D.J, Cherney, M.M, Zhao, D, Knapp, S, James, M.N.G.
登録日2003-01-16
公開日2003-04-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of Human beta-hexosaminidase B: Understanding the molecular basis of Sandhoff and Tay-Sachs disease
J.Mol.Biol., 327, 2003
5NKA
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BU of 5nka by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2g
分子名称: 1,2-ETHANEDIOL, 4-[[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylamino]cyclohexane-1-carboxylic acid, Ephrin type-A receptor 2
著者Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日2017-03-31
公開日2017-06-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.377 Å)
主引用文献Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
6S9F
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BU of 6s9f by Molmil
Drosophila OTK, extracellular domains 3-5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Tyrosine-protein kinase-like otk
著者Rozbesky, D, Jones, E.Y.
登録日2019-07-12
公開日2020-03-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.969 Å)
主引用文献Drosophila OTK Is a Glycosaminoglycan-Binding Protein with High Conformational Flexibility.
Structure, 28, 2020
6S9X
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BU of 6s9x by Molmil
Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 15c
分子名称: RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{H}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
著者Landel, I, Mueller, M.P, Rauh, D.
登録日2019-07-15
公開日2019-10-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Covalent-Allosteric Inhibitors to Achieve Akt Isoform-Selectivity.
Angew.Chem.Int.Ed.Engl., 58, 2019
2EUH
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BU of 2euh by Molmil
HOLO FORM OF A NADP DEPENDENT ALDEHYDE DEHYDROGENASE COMPLEX WITH NADP+
分子名称: NADP DEPENDENT NON PHOSPHORYLATING GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION
著者Cobessi, D, Tete-Favier, F, Marchal, S, Branlant, G, Aubry, A.
登録日1998-11-05
公開日1999-07-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Apo and holo crystal structures of an NADP-dependent aldehyde dehydrogenase from Streptococcus mutans.
J.Mol.Biol., 290, 1999
2FE0
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BU of 2fe0 by Molmil
NMR structure of SMP-1 (Small Myristoylated Protein) from Leishmania major
分子名称: small myristoylated protein 1
著者Gooley, P.R, Mertens, H.D.T, Tull, D, McConville, M.J.
登録日2005-12-14
公開日2006-12-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Function, membrane targetting and structure of SMP-1
To be Published
5NJ6
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BU of 5nj6 by Molmil
Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in ternary complex with Fab3949 and AZ7188 at 4.0 angstrom resolution
分子名称: Fab3949 H, Fab3949 L, Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2
著者Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N.
登録日2017-03-28
公開日2017-05-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 2017
5NJZ
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BU of 5njz by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1g
分子名称: Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide
著者Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日2017-03-31
公開日2017-06-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.768 Å)
主引用文献Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
5NIK
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BU of 5nik by Molmil
Structure of the MacAB-TolC ABC-type tripartite multidrug efflux pump
分子名称: Macrolide export ATP-binding/permease protein MacB, Macrolide export protein MacA, Outer membrane protein TolC
著者Fitzpatrick, A.W.P, Llabres, S, Neuberger, A, Blaza, J.N, Bai, X.-C, Okada, U, Murakami, S, van Veen, H.W, Zachariae, U, Scheres, S.H.W, Luisi, B.F, Du, D.
登録日2017-03-24
公開日2017-05-24
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of the MacAB-TolC ABC-type tripartite multidrug efflux pump.
Nat Microbiol, 2, 2017
6SG9
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BU of 6sg9 by Molmil
Head domain of the mt-SSU assemblosome from Trypanosoma brucei
分子名称: 9S rRNA, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Saurer, M, Ramrath, D.J.F, Niemann, M, Calderaro, S, Prange, C, Mattei, S, Scaiola, A, Leitner, A, Bieri, P, Horn, E.K, Leibundgut, M, Boehringer, D, Schneider, A, Ban, N.
登録日2019-08-03
公開日2019-09-18
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Mitoribosomal small subunit biogenesis in trypanosomes involves an extensive assembly machinery.
Science, 365, 2019
5NK1
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BU of 5nk1 by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1k
分子名称: 2-[[3-[(4-azanyl-6-methyl-1,3,5-triazin-2-yl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日2017-03-31
公開日2017-06-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.548 Å)
主引用文献Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
5NK6
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Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2d
分子名称: Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(4-oxidanylcyclohexyl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide
著者Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日2017-03-31
公開日2017-06-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.267 Å)
主引用文献Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
5NK5
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Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1m
分子名称: 2-[[3-[(3-aminophenyl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日2017-03-31
公開日2017-06-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.329 Å)
主引用文献Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017

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