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1I9N
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BU of 1i9n by Molmil
CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-BENZAMIDE
分子名称: 4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
著者Kim, C.-Y, Chandra, P.P, Jain, A, Christianson, D.W.
登録日2001-03-20
公開日2001-03-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Fluoroaromatic-fluoroaromatic interactions between inhibitors bound in the crystal lattice of human carbonic anhydrase II.
J.Am.Chem.Soc., 123, 2001
1I9M
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BU of 1i9m by Molmil
CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-BENZAMIDE
分子名称: 4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
著者Kim, C.-Y, Chandra, P.P, Jain, A, Christianson, D.W.
登録日2001-03-20
公開日2001-03-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Fluoroaromatic-fluoroaromatic interactions between inhibitors bound in the crystal lattice of human carbonic anhydrase II.
J.Am.Chem.Soc., 123, 2001
1I9O
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BU of 1i9o by Molmil
CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-BENZAMIDE
分子名称: 4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
著者Kim, C.-Y, Chandra, P.P, Jain, A, Christianson, D.W.
登録日2001-03-20
公開日2001-03-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Fluoroaromatic-fluoroaromatic interactions between inhibitors bound in the crystal lattice of human carbonic anhydrase II.
J.Am.Chem.Soc., 123, 2001
1I9P
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BU of 1i9p by Molmil
CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-BENZAMIDE
分子名称: 4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
著者Kim, C.-Y, Chandra, P.P, Jain, A, Christianson, D.W.
登録日2001-03-20
公開日2001-03-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Fluoroaromatic-fluoroaromatic interactions between inhibitors bound in the crystal lattice of human carbonic anhydrase II.
J.Am.Chem.Soc., 123, 2001
1I9L
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BU of 1i9l by Molmil
CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-BENZAMIDE
分子名称: 4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
著者Kim, C.-Y, Chandra, P.P, Jain, A, Christianson, D.W.
登録日2001-03-20
公開日2001-03-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Fluoroaromatic-fluoroaromatic interactions between inhibitors bound in the crystal lattice of human carbonic anhydrase II.
J.Am.Chem.Soc., 123, 2001
1I9Q
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BU of 1i9q by Molmil
CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]-BENZAMIDE
分子名称: 4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
著者Kim, C.-Y, Chandra, P.P, Jain, A, Christianson, D.W.
登録日2001-03-20
公開日2001-03-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fluoroaromatic-fluoroaromatic interactions between inhibitors bound in the crystal lattice of human carbonic anhydrase II.
J.Am.Chem.Soc., 123, 2001
4Z86
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BU of 4z86 by Molmil
Crystal structure of Peptidyl-tRNA hydrolase mutant -N118D from Vibrio cholerae at 1.63A resolution.
分子名称: Peptidyl-tRNA hydrolase
著者Shahid, S, Kabra, A, Pal, R.K, Arora, A.
登録日2015-04-08
公開日2016-06-08
最終更新日2017-04-05
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Unraveling the stereochemical and dynamic aspects of the catalytic site of bacterial peptidyl-tRNA hydrolase.
RNA, 23, 2017
8SVG
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BU of 8svg by Molmil
Ubiquitin variant i53 in complex with 53BP1 Tudor domain
分子名称: Tumor protein p53 binding protein 1, Ubiquitin variant i53
著者Holden, J.K, Partridge, J.R, Wibowo, A.S, Mulichak, A.
登録日2023-05-16
公開日2024-03-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
8SVI
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BU of 8svi by Molmil
Ubiquitin variant i53:Mutant L67H with 53BP1 Tudor domain
分子名称: GLYCEROL, Tumor protein p53 binding protein 1, Ubiquitin Variant i53: Mutant L67H
著者Partridge, J.R, Holden, J.K, Wibowo, A.S, Mulichak, A.
登録日2023-05-16
公開日2024-03-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
8T2D
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BU of 8t2d by Molmil
Ubiquitin variant i53:Mutant T12Y.T14E.L67R with 53BP1 Tudor domain
分子名称: Tumor protein p53 binding protein 1, Ubiquitin variant i53
著者Partridge, J.R, Holden, J.K, Wibowo, A.S, Mulichak, A.
登録日2023-06-05
公開日2024-03-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
8SVH
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BU of 8svh by Molmil
Ubiquitin variant i53 mutant L67R bound to 53BP1 Tudor Domain
分子名称: Tumor protein p53 binding protein 1, Ubiquitin variant i53: mutant L67R
著者Holden, J.K, Partridge, J.R, Wibowo, A.S, Mulichak, A.
登録日2023-05-16
公開日2024-03-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
8SVJ
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BU of 8svj by Molmil
Ubiquitin variant i53: mutant VHH with 53BP1 Tudor domain
分子名称: GLYCEROL, Tumor protein p53 binding protein 1, Ubiquitin varient i53 mutant VHH
著者Holden, J, Partridge, J.R, Wibowo, A.S, Mulichak, A.
登録日2023-05-16
公開日2024-03-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
8IOI
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BU of 8ioi by Molmil
Crystal Structure of PadR- family transcriptional regulator Rv1176c from Mycobacterium tuberculosis H37Rv.
分子名称: CHLORIDE ION, GLYCEROL, HEXAETHYLENE GLYCOL, ...
著者Yadav, V, Zohib, M, Pal, R.K, Biswal, B.K, Arora, A.
登録日2023-03-11
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Structural and biophysical characterization of PadR family protein Rv1176c of Mycobacterium tuberculosis H37Rv.
Int.J.Biol.Macromol., 263, 2024
5IKE
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BU of 5ike by Molmil
Crystal structure of mutant-D97N of peptidyl-tRNA hydrolase from Vibrio cholerae
分子名称: Peptidyl-tRNA hydrolase
著者Shahid, S, Kabra, A, Pal, R.K, Arora, A.
登録日2016-03-03
公開日2017-03-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Unraveling the stereochemical and dynamic aspects of the catalytic site of bacterial peptidyl-tRNA hydrolase.
RNA, 23, 2017
5IMB
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BU of 5imb by Molmil
Crystal structure of peptidyl-tRNA hydrolase mutant-N14D from Vibrio cholerae
分子名称: Peptidyl-tRNA hydrolase
著者Shahid, S, Kabra, A, Pal, R.K, Arora, A.
登録日2016-03-06
公開日2017-03-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Unraveling the stereochemical and dynamic aspects of the catalytic site of bacterial peptidyl-tRNA hydrolase.
RNA, 23, 2017
5JBQ
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BU of 5jbq by Molmil
EF-TU (ESCHERICHIA COLI) IN COMPLEX WITH THIOMURACIN ANALOG
分子名称: Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Palestrant, D, Stams, T.
登録日2016-04-13
公開日2016-07-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.006 Å)
主引用文献Antibacterial and Solubility Optimization of Thiomuracin A.
J.Med.Chem., 59, 2016
6L4C
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BU of 6l4c by Molmil
Crystal structure of vicilin from Corylus avellana (Hazelnut)
分子名称: 48-kDa glycoprotein, COPPER (II) ION
著者Shikhi, M, Salunke, D.M.
登録日2019-10-16
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.191 Å)
主引用文献Comparative study of 7S globulin from Corylus avellana and Solanum lycopersicum revealed importance of salicylic acid and Cu-binding loop in modulating their function.
Biochem.Biophys.Res.Commun., 522, 2020
7BRD
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BU of 7brd by Molmil
Crystal structure of Peptidyl-tRNA hydrolase from Klebsiella pneumoniae
分子名称: 1,2-ETHANEDIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ...
著者Mundra, S, Zohib, M, Pal, R.K, Biswal, B.K, Arora, A.
登録日2020-03-27
公開日2021-03-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.892 Å)
主引用文献Structural and functional characterization of peptidyl-tRNA hydrolase from Klebsiella pneumoniae.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
5VF5
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BU of 5vf5 by Molmil
Crystal structure of the vicilin from Solanum melongena, re-refinement
分子名称: ACETATE ION, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ...
著者Porebski, P.J, Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B.
登録日2017-04-06
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Detect, correct, retract: How to manage incorrect structural models.
FEBS J., 285, 2018
7N13
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BU of 7n13 by Molmil
Crystal structure of MTH1 in complex with compound 32
分子名称: 4-anilino-6-[4-(butylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-7-fluoroquinoline-3-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Eron, S.J.
登録日2021-05-26
公開日2021-11-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Development of an AchillesTAG degradation system and its application to control CAR-T activity
Curr Res Chem Biol, 1, 2021
7USZ
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BU of 7usz by Molmil
Human DDAH-1, holo (Zn-bound) form
分子名称: CHLORIDE ION, N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, ZINC ION
著者Smith, C.A, Ghebre, Y.T.
登録日2022-04-26
公開日2022-05-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Esomeprazole covalently interacts with the cardiovascular enzyme dimethylarginine dimethylaminohydrolase: Insights into the cardiovascular risk of proton pump inhibitors.
Biochim Biophys Acta Gen Subj, 1866, 2022
7UT0
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BU of 7ut0 by Molmil
Human DDAH-1, apo form
分子名称: 1,2-ETHANEDIOL, N(G),N(G)-dimethylarginine dimethylaminohydrolase 1
著者Smith, C.A, Ghebre, Y.T.
登録日2022-04-26
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Esomeprazole covalently interacts with the cardiovascular enzyme dimethylarginine dimethylaminohydrolase: Insights into the cardiovascular risk of proton pump inhibitors.
Biochim Biophys Acta Gen Subj, 1866, 2022
7JHD
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BU of 7jhd by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with TTC-352 and GRIP Peptide
分子名称: 3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophene-6-ol, Estrogen receptor, Nuclear receptor coactivator 2
著者Fanning, S.W, Abderraman, B, Maximov, P.Y, Jordan, V.C, Greene, G.L.
登録日2020-07-20
公開日2020-11-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.402 Å)
主引用文献Rapid Induction of the Unfolded Protein Response and Apoptosis by Estrogen Mimic TTC-352 for the Treatment of Endocrine-Resistant Breast Cancer.
Mol.Cancer Ther., 20, 2021
7JKB
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BU of 7jkb by Molmil
2xVH Fab
分子名称: Anti-Her2, Anti-lysozyme
著者Lord, D.M, Zhou, Y.F.
登録日2020-07-28
公開日2020-11-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Bringing the Heavy Chain to Light: Creating a Symmetric, Bivalent IgG-Like Bispecific.
Antibodies, 9, 2020
3R02
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BU of 3r02 by Molmil
The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors
分子名称: 7-[(cis-4-aminocyclohexyl)amino]-5-bromo-1-benzofuran-2-carboxylic acid, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase pim-1
著者Xiang, Y, Hirth, B, Asmussen, G, Biemann, H.-P, Good, A, Fitzgerald, M, Gladysheva, T, Jancsics, K, Liu, J, Metz, M, Papoulis, A, Skerlj, R, Stepp, D.J, Wei, R.R.
登録日2011-03-07
公開日2011-05-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011

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