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4QP3
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BU of 4qp3 by Molmil
Crystal Structure of ERK2 in complex with (S)-2-((9H-purin-6-yl)amino)-3-phenylpropan-1-ol
Descriptor: (2S)-3-phenyl-2-(9H-purin-6-ylamino)propan-1-ol, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.599 Å)
Cite: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
Descriptor: N-acetyl-alpha-neuraminic acid, Sialidase
Authors:Amaya, M.F, Buschiazzo, A, Nguyen, T, Alzari, P.M.
Deposit date:2002-10-21
Release date:2003-01-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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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BU of 1n1t by Molmil
Trypanosoma rangeli sialidase in complex with DANA at 1.6 A
Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, SULFATE ION, Sialidase
Authors:Amaya, M.F, Buschiazzo, A, Nguyen, T, Alzari, P.M.
Deposit date:2002-10-20
Release date:2003-01-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: 1-ACETYL-L-PROLINE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ALANINE, ...
Authors:Wakui, H, Horidome, C, Yao, M, Ose, T, Nishimura, S.-I.
Deposit date:2022-12-15
Release date:2023-08-30
Method:X-RAY DIFFRACTION (2.07 Å)
Cite: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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BU of 6r9j by Molmil
Structure of Saccharomyces cerevisiae apo Pan2 pseudoubiquitin hydrolase-RNA exonuclease (UCH-Exo) module in complex with A7 RNA
Descriptor: A7 RNA, PAN2-PAN3 deadenylation complex catalytic subunit PAN2
Authors:Tang, T.T.L, Stowell, J.A.W, Hill, C.H, Passmore, L.A.
Deposit date:2019-04-03
Release date:2019-05-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.326 Å)
Cite: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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BU of 6r9p by Molmil
Structure of Saccharomyces cerevisiae apo Pan2 pseudoubiquitin hydrolase-RNA exonuclease (UCH-Exo) module in complex with AAUUAA RNA
Descriptor: AAUUAA RNA, PAN2-PAN3 deadenylation complex catalytic subunit PAN2
Authors:Tang, T.T.L, Stowell, J.A.W, Hill, C.H, Passmore, L.A.
Deposit date:2019-04-03
Release date:2019-05-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.98 Å)
Cite: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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BU of 6r9o by Molmil
Structure of Saccharomyces cerevisiae apo Pan2 pseudoubiquitin hydrolase-RNA exonuclease (UCH-Exo) module in complex with AAGGA RNA
Descriptor: AAGGA RNA, PAN2-PAN3 deadenylation complex catalytic subunit PAN2
Authors:Tang, T.T.L, Stowell, J.A.W, Hill, C.H, Passmore, L.A.
Deposit date:2019-04-03
Release date:2019-05-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.319 Å)
Cite: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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BU of 6r9m by Molmil
Structure of Saccharomyces cerevisiae apo Pan2 pseudoubiquitin hydrolase-RNA exonuclease (UCH-Exo) module in complex with AAGGAA RNA
Descriptor: AAGGAA RNA, PAN2-PAN3 deadenylation complex catalytic subunit PAN2
Authors:Tang, T.T.L, Stowell, J.A.W, Hill, C.H, Passmore, L.A.
Deposit date:2019-04-03
Release date:2019-05-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.329 Å)
Cite: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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BU of 6r9q by Molmil
Structure of Saccharomyces cerevisiae apo Pan2 pseudoubiquitin hydrolase-RNA exonuclease (UCH-Exo) module in complex with AACCAA RNA
Descriptor: AACCAA, PAN2-PAN3 deadenylation complex catalytic subunit PAN2
Authors:Tang, T.T.L, Stowell, J.A.W, Hill, C.H, Passmore, L.A.
Deposit date:2019-04-03
Release date:2019-05-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.079 Å)
Cite: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
Descriptor: ACETIC ACID, Expansin-yoaJ, GLYCEROL, ...
Authors:Georgelis, N, Yennawar, N.H, Cosgrove, D.J.
Deposit date:2012-05-30
Release date:2012-08-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.099 Å)
Cite: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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BU of 6b90 by Molmil
Multiconformer model of apo WT PTP1B with glycerol at 100 K (ALTERNATIVE REFINEMENT OF PDB 1SUG showing conformational heterogeneity)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1
Authors: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.
Deposit date:2017-10-09
Release date:2018-06-20
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
6B8T
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BU of 6b8t by Molmil
Multiconformer model of apo WT PTP1B with glycerol at 240 K
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1
Authors: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.
Deposit date:2017-10-09
Release date:2018-06-20
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1
Authors: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.
Deposit date:2017-10-06
Release date:2018-06-20
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.82 Å)
Cite: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
Descriptor: 3-methylcrotonyl-CoA carboxylase, putative, 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ...
Authors:Ruiz, F.M, Plaza-Pegueroles, A, Fernandez-Tornero, C.
Deposit date:2024-01-26
Release date:2024-04-17
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.37 Å)
Cite: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)
Descriptor: Tetraspanin-15
Authors:Lipper, C.H, Gabriel, K.H, Seegar, T.C.M, Durr, K.L, Tomlinson, M.G, Blacklow, S.C.
Deposit date:2021-07-09
Release date:2021-11-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.52 Å)
Cite: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
Descriptor: 5-methoxy-N-(methylsulfonyl)-1H-indole-2-carboxamide, ETHANOL, GLYCEROL, ...
Authors:Silvestre, H.L, Hung, A.W, Wen, S, Ciulli, A, Blundell, T.L, Abell, C.
Deposit date:2009-08-26
Release date:2009-10-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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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BU of 3img by Molmil
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
Descriptor: 1-benzofuran-2-carboxylic acid, 5-methoxy-1H-indole, ETHANOL, ...
Authors:Ciulli, A, Hung, A.W, Silvestre, H.L, Wen, S, Blundell, T.L, Abell, C.
Deposit date:2009-08-10
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: (5-methoxy-2-{[(5-methylpyridin-2-yl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid, 1,2-ETHANEDIOL, ETHANOL, ...
Authors:Silvestre, H.L, Wen, S, Hung, A.W, Ciulli, A, Blundell, T.L, Abell, C.
Deposit date:2009-08-31
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.73 Å)
Cite: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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BU of 3ivc by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(2-((benzofuran-2-ylmethoxy)carbonyl)-5-methoxy-1H-indol-1-yl)acetic acid
Descriptor: ETHANOL, GLYCEROL, Pantothenate synthetase, ...
Authors:Silvestre, H.L, Hung, A.W, Wen, S, Ciulli, A, Blundell, T.L, Abell, C.
Deposit date:2009-08-31
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.13 Å)
Cite: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
Descriptor: 5-methoxy-1H-indole, ETHANOL, GLYCEROL, ...
Authors:Ciulli, A, Hung, A.W, Silvestre, H.L, Wen, S, Blundell, T.L, Abell, C.
Deposit date:2009-08-10
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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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BU of 3ivx by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(2-(benzofuran-2-ylsulfonylcarbamoyl)-5-methoxy-1H-indol-1-yl)acetic acid
Descriptor: 1,2-ETHANEDIOL, ETHANOL, GLYCEROL, ...
Authors:Silvestre, H.L, Hung, A.W, Wen, S, Ciulli, A, Blundell, T.L, Abell, C.
Deposit date:2009-09-02
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.73 Å)
Cite: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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BU of 3ime by Molmil
Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 2.40 Ang resolution in complex with fragment compound 1-Benzofuran-2-carboxylic acid
Descriptor: 1-benzofuran-2-carboxylic acid, ETHANOL, GLYCEROL, ...
Authors:Ciulli, A, Hung, A.W, Silvestre, H.L, Wen, S, Blundell, T.L, Abell, C.
Deposit date:2009-08-10
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.39 Å)
Cite: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
Descriptor: (2-{[(1-benzofuran-2-ylsulfonyl)amino]methyl}-5-methoxy-1H-indol-1-yl)acetic acid, 1,2-ETHANEDIOL, ETHANOL, ...
Authors:Silvestre, H.L, Hung, A.W, Wen, S, Ciulli, A, Blundell, T.L, Abell, C.
Deposit date:2009-09-01
Release date:2009-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: 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
Authors:Zeelen, J.P, Straaten van, M, Stebbins, C.E.
Deposit date:2020-05-30
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.64 Å)
Cite: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
Descriptor: 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
Authors:Zeelen, J.P, Straaten van, M, Stebbins, C.E.
Deposit date:2020-05-30
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.663 Å)
Cite:Structure of trypanosome coat protein VSGsur and function in suramin resistance.
Nat Microbiol, 6, 2021

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