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7WNA
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BU of 7wna by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13120
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Isoform 4 of Bromodomain-containing protein 2, ...
著者Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
登録日2022-01-17
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WMQ
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BU of 7wmq by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13157
分子名称: 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, FORMIC ACID, GLYCEROL, ...
著者Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
登録日2022-01-16
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
5EJU
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BU of 5eju by Molmil
Ensemble refinement of the Crystal Structure of the Reversibly photoswitching chromoprotein Dathail, Ground State
分子名称: Reversibly photoswitching protein Dathail
著者Close, D.W, Langan, P.S, Bradbury, A.R.M.
登録日2015-11-02
公開日2016-04-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Evolution and characterization of a new reversibly photoswitching chromogenic protein, Dathail.
J.Mol.Biol., 428, 2016
5EB7
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BU of 5eb7 by Molmil
Crystal Structure of the Reversibly photoswitching chromoprotein Dathail, Metastable State
分子名称: Reversibly photoswitching chromoprotein Dathail
著者Close, D.W, Langan, P.S, Bradbury, A.R.M.
登録日2015-10-18
公開日2016-04-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Evolution and characterization of a new reversibly photoswitching chromogenic protein, Dathail.
J.Mol.Biol., 428, 2016
5EXU
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BU of 5exu by Molmil
Reversibly photoswitching protein Dathail, Ensemble refinement
分子名称: Reversibly photoswitching protein Dathail
著者Close, D.W, Langan, P.S, Bradbury, A.R.M.
登録日2015-11-24
公開日2016-04-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Evolution and characterization of a new reversibly photoswitching chromogenic protein, Dathail.
J.Mol.Biol., 428, 2016
7O67
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BU of 7o67 by Molmil
Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 15 minutes showing either a dioxygen or a superoxide anion coordinated to iron ions in the ferroxidase site
分子名称: CHLORIDE ION, FE (II) ION, Ferritin, ...
著者Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S.
登録日2021-04-09
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin.
Chemistry, 27, 2021
7NS7
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BU of 7ns7 by Molmil
Human L-alanine:glyoxylate aminotransferase minor allele variant: AGXT-Mi (P11L-I340M)
分子名称: L-alanine:glyoxylate aminotransferase
著者Cellini, B, Dindo, M.
登録日2021-03-05
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural dynamics shape the fitness window of alanine:glyoxylate aminotransferase.
Protein Sci., 31, 2022
1YJP
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BU of 1yjp by Molmil
Structure of GNNQQNY from yeast prion Sup35
分子名称: Eukaryotic peptide chain release factor GTP-binding subunit
著者Nelson, R, Sawaya, M.R, Balbirnie, M, Madsen, A.O, Riekel, C, Grothe, R, Eisenberg, D.
登録日2005-01-15
公開日2005-06-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the cross-beta spine of amyloid-like fibrils.
Nature, 435, 2005
5AFS
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BU of 5afs by Molmil
structure of Zn-bound periplasmic metal binding protein from candidatus liberibacter asiaticus
分子名称: ACETATE ION, GLYCEROL, PERIPLASMIC SOLUTE BINDING PROTEIN, ...
著者Sharma, N, Selvakumar, P, Kumar, P, Sharma, A.K.
登録日2015-01-23
公開日2016-02-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Crystal structure analysis in Zn(2+)-bound state and biophysical characterization of CLas-ZnuA2.
Biochim. Biophys. Acta, 1864, 2016
4V26
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BU of 4v26 by Molmil
VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells
分子名称: MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, N-[4-(2-CHLORO-5-METHYLPYRIMIDIN-4-YL)PHENYL]-2,4-DIHYDROXY-N-(4-{[(TRIFLUOROACETYL)AMINO]METHYL}BENZYL)BENZAMIDE, ...
著者Moore, J.D, Staniszewska, A, Shaw, T, D'Alessandro, J, Davis, B, Surgenor, A, Baker, L, Matassova, N, Murray, J, Macias, A, Brough, P, Wood, M, Mahon, P.C.
登録日2014-10-06
公開日2014-12-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells.
Oncotarget, 5, 2014
5GVY
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BU of 5gvy by Molmil
Crystal structure of SALT protein from Oryza sativa
分子名称: Salt stress-induced protein, alpha-D-mannopyranose
著者Sharma, P, Sagar, A, Kaur, N, Sharma, I, Kirat, K, Ashish, F.N.U, Pati, P.K.
登録日2016-09-07
公開日2017-09-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.662 Å)
主引用文献Structural insights into rice SalTol QTL located SALT protein.
Sci Rep, 10, 2020
1EB2
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BU of 1eb2 by Molmil
Trypsin inhibitor complex (BPO)
分子名称: 3-[(Z)-AMINO(IMINO)METHYL]-N-[2-(4-BENZOYL-1-PIPERIDINYL)-2-OXO-1-PHENYLETHYL]BENZAMIDE, CALCIUM ION, SULFATE ION, ...
著者Wilkinson, K.W, Young, S.C, Liebeschuetz, J.W, Brady, R.L.
登録日2001-07-18
公開日2002-02-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pro_Select: Combining Structure-Based Drug Design and Array-Based Chemistry for Rapid Lead Discovery. 2. The Development of a Series of Highly Potent and Selective Factor Xa Inhibitors
J.Med.Chem., 45, 2002
5Z9G
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BU of 5z9g by Molmil
Crystal structure of KAI2
分子名称: Probable esterase KAI2
著者Kim, K.L, Cha, J.S, Soh, M.S, Cho, H.S.
登録日2018-02-03
公開日2018-08-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献A missense allele of KARRIKIN-INSENSITIVE2 impairs ligand-binding and downstream signaling in Arabidopsis thaliana.
J. Exp. Bot., 69, 2018
1EB6
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BU of 1eb6 by Molmil
Deuterolysin from Aspergillus oryzae
分子名称: 1,2-ETHANEDIOL, NEUTRAL PROTEASE II, ZINC ION
著者McAuley, K.E, Jia-Xing, Y, Dodson, E.J, Lehmbeck, J, Ostergaard, P.R, Wilson, K.S.
登録日2001-07-19
公開日2001-11-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献A Quick Solution: Ab Initio Structure Determination of a 19 kDa Metalloproteinase Using Acorn
Acta Crystallogr.,Sect.D, 57, 2001
2CMY
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BU of 2cmy by Molmil
Crystal complex between bovine trypsin and Veronica hederifolia trypsin inhibitor
分子名称: CALCIUM ION, CATIONIC TRYPSIN, GLYCEROL, ...
著者Conners, R, Yardley, J.L, Konarev, A, Shewry, P, Brady, R.L.
登録日2006-05-16
公開日2007-05-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献An Unusual Helix-Turn-Helix Protease Inhibitory Motif in a Novel Trypsin Inhibitor from Seeds of Veronica (Veronica Hederifolia L.).
J.Biol.Chem., 282, 2007
7N4W
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BU of 7n4w by Molmil
Complex structure of ROTU4 with rotundine
分子名称: GLYCEROL, ROTU4, SULFATE ION, ...
著者Kim, W, Zhang, Y.
登録日2021-06-04
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Using fungible biosensors to evolve improved alkaloid biosyntheses.
Nat.Chem.Biol., 18, 2022
7O66
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BU of 7o66 by Molmil
Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 60 minutes showing either a dioxygen or a superoxide anion coordinated to iron ions in the ferroxidase site
分子名称: CHLORIDE ION, FE (II) ION, Ferritin, ...
著者Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S.
登録日2021-04-09
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin.
Chemistry, 27, 2021
7O65
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BU of 7o65 by Molmil
Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 90 minutes showing either a dioxygen or a superoxide anion coordinated to iron ions in the ferroxidase site
分子名称: CHLORIDE ION, FE (II) ION, Ferritin, ...
著者Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S.
登録日2021-04-09
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin.
Chemistry, 27, 2021
7O64
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BU of 7o64 by Molmil
Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 1 minute.
分子名称: CHLORIDE ION, FE (II) ION, Ferritin, ...
著者Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S.
登録日2021-04-09
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin.
Chemistry, 27, 2021
7O6C
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BU of 7o6c by Molmil
Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 15 minutes under anaerobic environment
分子名称: CHLORIDE ION, FE (II) ION, Ferritin, ...
著者Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S.
登録日2021-04-09
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin.
Chemistry, 27, 2021
7OJ6
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BU of 7oj6 by Molmil
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 1
分子名称: 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide, ACETATE ION, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, ...
著者Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
登録日2021-05-14
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
7OJP
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BU of 7ojp by Molmil
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 1
分子名称: 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, MAGNESIUM ION
著者Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
登録日2021-05-17
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
7O63
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BU of 7o63 by Molmil
High resolution crystal structure of human mitochondrial ferritin (hMTF)
分子名称: CHLORIDE ION, Ferritin, mitochondrial, ...
著者Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S.
登録日2021-04-09
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin.
Chemistry, 27, 2021
7O68
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BU of 7o68 by Molmil
Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 120 minutes showing either a dioxygen or a superoxide anion coordinated to iron ions in the ferroxidase site.
分子名称: CHLORIDE ION, FE (II) ION, Ferritin, ...
著者Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S.
登録日2021-04-09
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin.
Chemistry, 27, 2021
7O6A
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BU of 7o6a by Molmil
Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 5 minutes under anaerobic environment
分子名称: CHLORIDE ION, FE (II) ION, Ferritin, ...
著者Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S.
登録日2021-04-09
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin.
Chemistry, 27, 2021

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