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4QP3
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Crystal Structure of ERK2 in complex with (S)-2-((9H-purin-6-yl)amino)-3-phenylpropan-1-ol
分子名称: (2S)-3-phenyl-2-(9H-purin-6-ylamino)propan-1-ol, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (2.599 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
1N1Y
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BU of 1n1y by Molmil
Trypanosoma rangeli sialidase in complex with sialic acid
分子名称: N-acetyl-alpha-neuraminic acid, Sialidase
著者Amaya, M.F, Buschiazzo, A, Nguyen, T, Alzari, P.M.
登録日2002-10-21
公開日2003-01-07
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The high resolution structures of free and inhibitor-bound Trypanosoma rangeli sialidase and its comparison with T. cruzi trans-sialidase
J.Mol.Biol., 325, 2003
1N1T
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Trypanosoma rangeli sialidase in complex with DANA at 1.6 A
分子名称: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, SULFATE ION, Sialidase
著者Amaya, M.F, Buschiazzo, A, Nguyen, T, Alzari, P.M.
登録日2002-10-20
公開日2003-01-07
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The high resolution structures of free and inhibitor-bound Trypanosoma rangeli sialidase and its comparison with T. cruzi trans-sialidase
J.Mol.Biol., 325, 2003
8HRH
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BU of 8hrh by Molmil
SN-131/1B2 anti-MUC1 antibody with a glycopeptide
分子名称: 1-ACETYL-L-PROLINE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ALANINE, ...
著者Wakui, H, Horidome, C, Yao, M, Ose, T, Nishimura, S.-I.
登録日2022-12-15
公開日2023-08-30
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural and molecular insight into antibody recognition of dynamic neoepitopes in membrane tethered MUC1 of pancreatic cancer cells and secreted exosomes.
Rsc Chem Biol, 4, 2023
6R9J
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Structure of Saccharomyces cerevisiae apo Pan2 pseudoubiquitin hydrolase-RNA exonuclease (UCH-Exo) module in complex with A7 RNA
分子名称: A7 RNA, PAN2-PAN3 deadenylation complex catalytic subunit PAN2
著者Tang, T.T.L, Stowell, J.A.W, Hill, C.H, Passmore, L.A.
登録日2019-04-03
公開日2019-05-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.326 Å)
主引用文献The intrinsic structure of poly(A) RNA determines the specificity of Pan2 and Caf1 deadenylases.
Nat.Struct.Mol.Biol., 26, 2019
6R9P
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Structure of Saccharomyces cerevisiae apo Pan2 pseudoubiquitin hydrolase-RNA exonuclease (UCH-Exo) module in complex with AAUUAA RNA
分子名称: AAUUAA RNA, PAN2-PAN3 deadenylation complex catalytic subunit PAN2
著者Tang, T.T.L, Stowell, J.A.W, Hill, C.H, Passmore, L.A.
登録日2019-04-03
公開日2019-05-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献The intrinsic structure of poly(A) RNA determines the specificity of Pan2 and Caf1 deadenylases.
Nat.Struct.Mol.Biol., 26, 2019
6R9O
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Structure of Saccharomyces cerevisiae apo Pan2 pseudoubiquitin hydrolase-RNA exonuclease (UCH-Exo) module in complex with AAGGA RNA
分子名称: AAGGA RNA, PAN2-PAN3 deadenylation complex catalytic subunit PAN2
著者Tang, T.T.L, Stowell, J.A.W, Hill, C.H, Passmore, L.A.
登録日2019-04-03
公開日2019-05-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.319 Å)
主引用文献The intrinsic structure of poly(A) RNA determines the specificity of Pan2 and Caf1 deadenylases.
Nat.Struct.Mol.Biol., 26, 2019
6R9M
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Structure of Saccharomyces cerevisiae apo Pan2 pseudoubiquitin hydrolase-RNA exonuclease (UCH-Exo) module in complex with AAGGAA RNA
分子名称: AAGGAA RNA, PAN2-PAN3 deadenylation complex catalytic subunit PAN2
著者Tang, T.T.L, Stowell, J.A.W, Hill, C.H, Passmore, L.A.
登録日2019-04-03
公開日2019-05-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.329 Å)
主引用文献The intrinsic structure of poly(A) RNA determines the specificity of Pan2 and Caf1 deadenylases.
Nat.Struct.Mol.Biol., 26, 2019
6R9Q
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Structure of Saccharomyces cerevisiae apo Pan2 pseudoubiquitin hydrolase-RNA exonuclease (UCH-Exo) module in complex with AACCAA RNA
分子名称: AACCAA, PAN2-PAN3 deadenylation complex catalytic subunit PAN2
著者Tang, T.T.L, Stowell, J.A.W, Hill, C.H, Passmore, L.A.
登録日2019-04-03
公開日2019-05-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.079 Å)
主引用文献The intrinsic structure of poly(A) RNA determines the specificity of Pan2 and Caf1 deadenylases.
Nat.Struct.Mol.Biol., 26, 2019
4FER
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BU of 4fer by Molmil
Crystal structure of Bacillus Subtilis expansin (EXLX1) in complex with cellohexaose
分子名称: ACETIC ACID, Expansin-yoaJ, GLYCEROL, ...
著者Georgelis, N, Yennawar, N.H, Cosgrove, D.J.
登録日2012-05-30
公開日2012-08-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Structural basis for entropy-driven cellulose binding by a type-A cellulose-binding module (CBM) and bacterial expansin.
Proc.Natl.Acad.Sci.USA, 109, 2012
6B90
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Multiconformer model of apo WT PTP1B with glycerol at 100 K (ALTERNATIVE REFINEMENT OF PDB 1SUG showing conformational heterogeneity)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2017-10-09
公開日2018-06-20
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
6B8T
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Multiconformer model of apo WT PTP1B with glycerol at 240 K
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2017-10-09
公開日2018-06-20
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
6B8E
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BU of 6b8e by Molmil
Multiconformer model of apo WT PTP1B with glycerol at 180 K
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2017-10-06
公開日2018-06-20
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
8RTH
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BU of 8rth by Molmil
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase
分子名称: 3-methylcrotonyl-CoA carboxylase, putative, 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ...
著者Ruiz, F.M, Plaza-Pegueroles, A, Fernandez-Tornero, C.
登録日2024-01-26
公開日2024-04-17
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.37 Å)
主引用文献The cryo-EM structure of trypanosome 3-methylcrotonyl-CoA carboxylase provides mechanistic and dynamic insights into its enzymatic function.
Structure, 2024
7RDB
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BU of 7rdb by Molmil
Crystal structure of Tspan15 large extracellular loop (Tspan15 LEL)
分子名称: Tetraspanin-15
著者Lipper, C.H, Gabriel, K.H, Seegar, T.C.M, Durr, K.L, Tomlinson, M.G, Blacklow, S.C.
登録日2021-07-09
公開日2021-11-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Crystal structure of the Tspan15 LEL domain reveals a conserved ADAM10 binding site.
Structure, 30, 2022
3ISJ
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BU of 3isj by Molmil
Crystal structure of pantothenate synthetase from Mycobacterium tuberculosis in complex with 5-methoxy-N-(methylsulfonyl)-1H-indole-2-carboxamide
分子名称: 5-methoxy-N-(methylsulfonyl)-1H-indole-2-carboxamide, ETHANOL, GLYCEROL, ...
著者Silvestre, H.L, Hung, A.W, Wen, S, Ciulli, A, Blundell, T.L, Abell, C.
登録日2009-08-26
公開日2009-10-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase
Angew.Chem.Int.Ed.Engl., 48, 2009
3IMG
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Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.8 Ang resolution in a ternary complex with fragment compounds 5-methoxyindole and 1-benzofuran-2-carboxylic acid
分子名称: 1-benzofuran-2-carboxylic acid, 5-methoxy-1H-indole, ETHANOL, ...
著者Ciulli, A, Hung, A.W, Silvestre, H.L, Wen, S, Blundell, T.L, Abell, C.
登録日2009-08-10
公開日2009-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.
Angew.Chem.Int.Ed.Engl., 48, 2009
3IUE
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BU of 3iue by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(5-Methylpyridin-2-ylsulfonylcarbamoyl)-1H-indol-1-yl) acetic acid
分子名称: (5-methoxy-2-{[(5-methylpyridin-2-yl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid, 1,2-ETHANEDIOL, ETHANOL, ...
著者Silvestre, H.L, Wen, S, Hung, A.W, Ciulli, A, Blundell, T.L, Abell, C.
登録日2009-08-31
公開日2009-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.
Angew.Chem.Int.Ed.Engl., 48, 2009
3IVC
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Crystal structure of pantothenate synthetase in complex with 2-(2-((benzofuran-2-ylmethoxy)carbonyl)-5-methoxy-1H-indol-1-yl)acetic acid
分子名称: ETHANOL, GLYCEROL, Pantothenate synthetase, ...
著者Silvestre, H.L, Hung, A.W, Wen, S, Ciulli, A, Blundell, T.L, Abell, C.
登録日2009-08-31
公開日2009-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.
Angew.Chem.Int.Ed.Engl., 48, 2009
3IMC
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Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.6 Ang resolution in complex with fragment compound 5-methoxyindole, sulfate and glycerol
分子名称: 5-methoxy-1H-indole, ETHANOL, GLYCEROL, ...
著者Ciulli, A, Hung, A.W, Silvestre, H.L, Wen, S, Blundell, T.L, Abell, C.
登録日2009-08-10
公開日2009-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.
Angew.Chem.Int.Ed.Engl., 48, 2009
3IVX
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Crystal structure of pantothenate synthetase in complex with 2-(2-(benzofuran-2-ylsulfonylcarbamoyl)-5-methoxy-1H-indol-1-yl)acetic acid
分子名称: 1,2-ETHANEDIOL, ETHANOL, GLYCEROL, ...
著者Silvestre, H.L, Hung, A.W, Wen, S, Ciulli, A, Blundell, T.L, Abell, C.
登録日2009-09-02
公開日2009-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.
Angew.Chem.Int.Ed.Engl., 48, 2009
3IME
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Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 2.40 Ang resolution in complex with fragment compound 1-Benzofuran-2-carboxylic acid
分子名称: 1-benzofuran-2-carboxylic acid, ETHANOL, GLYCEROL, ...
著者Ciulli, A, Hung, A.W, Silvestre, H.L, Wen, S, Blundell, T.L, Abell, C.
登録日2009-08-10
公開日2009-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.
Angew.Chem.Int.Ed.Engl., 48, 2009
3IVG
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Crystal structure of pantothenate synthetase in complex with 2-(2-((benzofuran-2-sulfonamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid
分子名称: (2-{[(1-benzofuran-2-ylsulfonyl)amino]methyl}-5-methoxy-1H-indol-1-yl)acetic acid, 1,2-ETHANEDIOL, ETHANOL, ...
著者Silvestre, H.L, Hung, A.W, Wen, S, Ciulli, A, Blundell, T.L, Abell, C.
登録日2009-09-01
公開日2009-10-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.
Angew.Chem.Int.Ed.Engl., 48, 2009
6Z7C
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Variant Surface Glycoprotein VSGsur mutant H122A
分子名称: Variant surface glycoprotein Sur, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Zeelen, J.P, Straaten van, M, Stebbins, C.E.
登録日2020-05-30
公開日2021-03-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structure of trypanosome coat protein VSGsur and function in suramin resistance.
Nat Microbiol, 6, 2021
6Z7E
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Variant Surface Glycoprotein VSGsur mutant H122A soaked in 7.7 mM suramin
分子名称: Variant surface glycoprotein Sur, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Zeelen, J.P, Straaten van, M, Stebbins, C.E.
登録日2020-05-30
公開日2021-03-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.663 Å)
主引用文献Structure of trypanosome coat protein VSGsur and function in suramin resistance.
Nat Microbiol, 6, 2021

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