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2EWY
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BU of 2ewy by Molmil
Crystal structure of human BACE2 in complex with a hydroxyethylenamine transition-state inhibitor
分子名称: Beta-secretase 2, N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE-10-CARBOXAMIDE
著者Ostermann, N.
登録日2005-11-07
公開日2006-11-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure of human BACE2 in complex with a hydroxyethylamine transition state inhibitor
J.Mol.Biol., 355, 2006
2HD5
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BU of 2hd5 by Molmil
USP2 in complex with ubiquitin
分子名称: Polyubiquitin, Ubiquitin carboxyl-terminal hydrolase 2, ZINC ION
著者Renatus, M, Kroemer, M.
登録日2006-06-20
公開日2006-08-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Basis of Ubiquitin Recognition by the Deubiquitinating Protease USP2.
Structure, 14, 2006
2H7W
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BU of 2h7w by Molmil
Crystal structure of Chagasin, the endogenous cysteine-protease inhibitor from Trypanosoma cruzi
分子名称: Chagasin
著者Figueiredo da Silva, A.A, Guimaraes, B.G.
登録日2006-06-05
公開日2006-10-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of chagasin, the endogenous cysteine-protease inhibitor from Trypanosoma cruzi.
J.Struct.Biol., 157, 2007
1H6M
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BU of 1h6m by Molmil
Covalent glycosyl-enzyme intermediate of hen egg white lysozyme
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-glucopyranose, LYSOZYME C, SODIUM ION
著者Vocadlo, D.J, Davies, G.J, Laine, R, Withers, S.G.
登録日2001-06-19
公開日2001-08-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Catalysis by Hen Egg-White Lysozyme Proceeds Via a Covalent Intermediate
Nature, 412, 2001
1BCE
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BU of 1bce by Molmil
INTRAMOLECULAR TRIPLEX, NMR, 10 STRUCTURES
分子名称: DNA (5'-D(*AP*AP*GP*GP*AP*A)-3'), DNA (5'-D(*TP*TP*CP*CP*TP*T)-3')
著者Asensio, J.L, Brown, T, Lane, A.N.
登録日1998-04-29
公開日1998-08-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Comparison of the solution structures of intramolecular DNA triple helices containing adjacent and non-adjacent CG.C+ triplets.
Nucleic Acids Res., 26, 1998
4N7E
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BU of 4n7e by Molmil
Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with AF38469
分子名称: 2-[(6-methylpyridin-2-yl)carbamoyl]-5-(trifluoromethyl)benzoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sortilin, ...
著者Andersen, J.L, Strandbygaard, D, Thirup, S.
登録日2013-10-15
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The identification of AF38469: An orally bioavailable inhibitor of the VPS10P family sorting receptor Sortilin.
Bioorg.Med.Chem.Lett., 24, 2014
4MSL
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BU of 4msl by Molmil
Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with AF40431
分子名称: N-[(7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]-L-leucine, Sortilin, TETRAETHYLENE GLYCOL, ...
著者Andersen, J.L, Strandbygaard, D, Thirup, S.
登録日2013-09-18
公開日2014-02-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification of the first small-molecule ligand of the neuronal receptor sortilin and structure determination of the receptor-ligand complex.
Acta Crystallogr.,Sect.D, 70, 2014
6HR1
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BU of 6hr1 by Molmil
Crystal structure of the YFPnano fusion protein
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Benoit, R.M.
登録日2018-09-26
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Chimeric single alpha-helical domains as rigid fusion protein connections for protein nanotechnology and structural biology.
Structure, 2021
6GZP
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BU of 6gzp by Molmil
Llama nanobody PorM_02 structure determined at room temperature by in-situ diffraction in ChipX microfluidic device
分子名称: Nanobody
著者Roche, J, Gaubert, A, Desmyter, A, De Wijn, R, Sauter, C, Roussel, A.
登録日2018-07-04
公開日2018-07-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography.
Iucrj, 6, 2019
6Q52
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BU of 6q52 by Molmil
Structure of a psychrophilic CCA-adding enzyme in complex with CMPcPP at room temperature in ChipX microfluidic device
分子名称: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, CCA-adding enzyme
著者de Wijn, R, Hennig, O, Rollet, K, Bluhm, A, Betat, H, Moerl, M, Lorber, B, Sauter, C.
登録日2018-12-06
公開日2019-05-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography.
Iucrj, 6, 2019
7KBH
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BU of 7kbh by Molmil
Structure of Human HDAC2 in complex with a 2-substituted benzamide inhibitor (compound 16)
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ...
著者Klein, D.J, Liu, J.
登録日2020-10-02
公開日2020-12-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Discovery of Highly Selective and Potent HDAC3 Inhibitors Based on a 2-Substituted Benzamide Zinc Binding Group.
Acs Med.Chem.Lett., 11, 2020
7KBG
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BU of 7kbg by Molmil
Structure of Human HDAC2 in complex with a 2-substituted benzamide inhibitor (compound 20)
分子名称: 2,5-dichloro-1H-benzimidazole, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Klein, D.J, Liu, J.
登録日2020-10-02
公開日2020-12-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Discovery of Highly Selective and Potent HDAC3 Inhibitors Based on a 2-Substituted Benzamide Zinc Binding Group.
Acs Med.Chem.Lett., 11, 2020
4QAG
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BU of 4qag by Molmil
Structure of a dihydroxycoumarin active-site inhibitor in complex with the RNASE H domain of HIV-1 reverse transcriptase
分子名称: (7,8-dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H
著者Himmel, D.M, Ho, W.C, Arnold, E.
登録日2014-05-04
公開日2014-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.712 Å)
主引用文献Structure of a Dihydroxycoumarin Active-Site Inhibitor in Complex with the RNase H Domain of HIV-1 Reverse Transcriptase and Structure-Activity Analysis of Inhibitor Analogs.
J.Mol.Biol., 426, 2014
7FSA
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BU of 7fsa by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 24
分子名称: (1M)-6-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl][1,1'-biphenyl]-3,3',4,4'-tetrol, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ...
著者Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M.
登録日2022-12-18
公開日2023-04-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.909 Å)
主引用文献Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
7FS1
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BU of 7fs1 by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 11
分子名称: (1P)-N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ...
著者Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M.
登録日2022-12-18
公開日2023-04-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.863 Å)
主引用文献Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
7FS3
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BU of 7fs3 by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 15
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-4,4',5-trihydroxy[1,1'-biphenyl]-2-sulfonamide, ...
著者Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M.
登録日2022-12-18
公開日2023-04-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.655 Å)
主引用文献Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
7FRY
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BU of 7fry by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 6
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-{2-[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]ethyl}-3,4-dihydroxybenzene-1-sulfonamide, ...
著者Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M.
登録日2022-12-18
公開日2023-04-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.958 Å)
主引用文献Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
7FRV
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BU of 7frv by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 3
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 4,4'-sulfonyldi(benzene-1,2-diol), MAGNESIUM ION, ...
著者Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M.
登録日2022-12-18
公開日2023-04-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
7FS7
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BU of 7fs7 by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 20
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-N-(3,4-dihydroxyphenyl)-3,4-dihydroxybenzene-1-sulfonamide, ...
著者Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M.
登録日2022-12-18
公開日2023-04-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.774 Å)
主引用文献Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
7FS0
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BU of 7fs0 by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 8
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 3,4-dihydroxy-N-{2-[4-(3-hydroxybenzene-1-sulfonyl)phenyl]ethyl}benzene-1-sulfonamide, MAGNESIUM ION, ...
著者Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M.
登録日2022-12-18
公開日2023-04-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.412 Å)
主引用文献Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
7FS5
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BU of 7fs5 by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 17
分子名称: (10aP)-6-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-2,3,8,9-tetrahydroxy-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ...
著者Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M.
登録日2022-12-18
公開日2023-04-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.182 Å)
主引用文献Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
7FRZ
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BU of 7frz by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 7
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 3,4-dihydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}benzene-1-sulfonamide, MAGNESIUM ION, ...
著者Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M.
登録日2022-12-18
公開日2023-04-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.085 Å)
主引用文献Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
7FS6
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BU of 7fs6 by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 18
分子名称: (10aM)-6-{2-[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]ethyl}-2,3,8,9-tetrahydroxy-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ...
著者Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M.
登録日2022-12-18
公開日2023-04-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.241 Å)
主引用文献Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
7FRX
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BU of 7frx by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 5
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3,4-dihydroxybenzene-1-sulfonamide, ...
著者Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M.
登録日2022-12-18
公開日2023-04-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.847 Å)
主引用文献Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
7FSB
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BU of 7fsb by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 41
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)-3,4-dihydroxybenzene-1-sulfonamide, ...
著者Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M.
登録日2022-12-18
公開日2023-04-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.495 Å)
主引用文献Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023

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