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3MRS
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BU of 3mrs by Molmil
Crystal structure of shikimate kinase mutant (R57A) from Helicobacter pylori
Descriptor: Shikimate kinase
Authors:Cheng, W.C, Chen, T.J, Lin, S.C, Wang, W.C.
Deposit date:2010-04-29
Release date:2011-05-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of Helicobacter pylori shikimate kinase reveal a selective inhibitor-induced-fit mechanism
Plos One, 7, 2012
3MRT
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BU of 3mrt by Molmil
Glycogen phosphorylase complexed with 4-pyridinecarboxaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
Descriptor: Glycogen phosphorylase, muscle form, N-{[(2E)-2-(pyridin-4-ylmethylidene)hydrazino]carbonothioyl}-beta-D-glucopyranosylamine
Authors:Alexacou, K.-M.
Deposit date:2010-04-29
Release date:2011-01-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
3MRU
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BU of 3mru by Molmil
Crystal Structure of Aminoacylhistidine Dipeptidase from Vibrio alginolyticus
Descriptor: Aminoacyl-histidine dipeptidase, ZINC ION
Authors:Chang, C.-Y, Hsieh, Y.-C, Wu, T.-K, Chen, C.-J.
Deposit date:2010-04-29
Release date:2010-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure and mutational analysis of aminoacylhistidine dipeptidase from vibrio alginolyticus reveal a new architecture of M20 metallopeptidases
J.Biol.Chem., 285, 2010
3MRV
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BU of 3mrv by Molmil
Glycogen phosphorylase complexed with 3-hydroxybenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
Descriptor: DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ...
Authors:Alexacou, K.-M.
Deposit date:2010-04-29
Release date:2011-01-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
3MRW
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BU of 3mrw by Molmil
Crystal Structure of type I ribosome inactivating protein from Momordica balsamina at 1.7 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Kushwaha, G.S, Pandey, N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2010-04-29
Release date:2010-06-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of type I ribosome inactivating protein from Momordica balsamina at 1.7 A resolution
To be Published
3MRX
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BU of 3mrx by Molmil
Glycogen phosphorylase complexed with 4-methoxybenzaldehyde-4-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-thiosemicarbazone
Descriptor: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(4-methoxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
Authors:Alexacou, K.-M.
Deposit date:2010-04-29
Release date:2011-01-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
3MRY
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BU of 3mry by Molmil
Crystal Structure of type I ribosome inactivating protein from Momordica balsamina with 6-aminopurine at 2.0A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENINE, GLYCEROL, ...
Authors:Kushwaha, G.S, Pandey, N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2010-04-29
Release date:2010-06-23
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of type I ribosome inactivating protein from Momordica balsamina with 6-aminopurine at 2.0A resolution
To be Published
3MS2
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BU of 3ms2 by Molmil
Glycogen phosphorylase complexed with 4-methylbenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
Descriptor: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(4-methylphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
Authors:Alexacou, K.-M.
Deposit date:2010-04-29
Release date:2011-01-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
3MS3
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BU of 3ms3 by Molmil
Crystal structure of Thermolysin in complex with Aniline
Descriptor: ANILINE, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Behnen, J, Heine, A, Klebe, G.
Deposit date:2010-04-29
Release date:2011-05-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
Chemmedchem, 7, 2012
3MS4
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BU of 3ms4 by Molmil
Glycogen phosphorylase complexed with 4-trifluoromethylbenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
Descriptor: Glycogen phosphorylase, muscle form, N-{[(2E)-2-{[4-(trifluoromethyl)phenyl]methylidene}hydrazino]carbonothioyl}-beta-D-glucopyranosylamine
Authors:Alexacou, K.-M.
Deposit date:2010-04-29
Release date:2011-01-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
3MS5
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BU of 3ms5 by Molmil
Crystal Structure of Human gamma-butyrobetaine,2-oxoglutarate dioxygenase 1 (BBOX1)
Descriptor: 1,2-ETHANEDIOL, 2-(2-carboxyethyl)-1,1,1-trimethyldiazanium, Gamma-butyrobetaine dioxygenase, ...
Authors:Krojer, T, Kochan, G, McDonough, M.A, von Delft, F, Leung, I.K.H, Henry, L, Claridge, T.D.W, Pilka, E, Ugochukwu, E, Muniz, J, Filippakopoulos, P, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2010-04-29
Release date:2010-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural and mechanistic studies on gamma-butyrobetaine hydroxylase.
Chem. Biol., 17, 2010
3MS6
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BU of 3ms6 by Molmil
Crystal structure of Hepatitis B X-Interacting Protein (HBXIP)
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Hepatitis B virus X-interacting protein, ...
Authors:Garcia-Saez, I, Skoufias, D.
Deposit date:2010-04-29
Release date:2010-11-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.085 Å)
Cite:Structural Characterization of HBXIP: The Protein That Interacts with the Anti-Apoptotic Protein Survivin and the Oncogenic Viral Protein HBx.
J.Mol.Biol., 405, 2011
3MS7
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BU of 3ms7 by Molmil
Glycogen phosphorylase complexed with 2-chlorobenzaldehyde-4-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl) thiosemicarbazone
Descriptor: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(2-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
Authors:Alexacou, K.-M.
Deposit date:2010-04-29
Release date:2011-01-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
3MS8
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BU of 3ms8 by Molmil
Enzyme-Substrate interactions of IXT6, the intracellular xylanase of G. stearothermophilus.
Descriptor: GLYCEROL, Intra-cellular xylanase ixt6, SODIUM ION
Authors:Solomon, V, Zolotnitsky, G, Alhadeff, R, Shoham, Y, Shoham, G.
Deposit date:2010-04-29
Release date:2011-05-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Enzyme-Substrate interactions of IXT6, the intracellular xylanase of G. stearothermophilus.
TO BE PUBLISHED
3MS9
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BU of 3ms9 by Molmil
ABL kinase in complex with imatinib and a fragment (FRAG1) in the myristate pocket
Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, Tyrosine-protein kinase ABL1, ...
Authors:Cowan-Jacob, S.W, Rummel, G, Fendrich, G.
Deposit date:2010-04-29
Release date:2010-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding or bending: distinction of allosteric Abl kinase agonists from antagonists by an NMR-based conformational assay.
J.Am.Chem.Soc., 132, 2010
3MSA
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BU of 3msa by Molmil
Crystal structure of Thermolysin in complex with 3-Bromophenol
Descriptor: 3-bromophenol, CALCIUM ION, GLYCEROL, ...
Authors:Behnen, J, Heine, A, Klebe, G.
Deposit date:2010-04-29
Release date:2011-05-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
Chemmedchem, 7, 2012
3MSC
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BU of 3msc by Molmil
Glycogen phosphorylase complexed with 2-nitrobenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
Descriptor: Glycogen phosphorylase, muscle form, N-({(2Z)-2-[(2-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
Authors:Alexacou, K.-M.
Deposit date:2010-04-29
Release date:2011-03-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:The binding of beta-d-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: A new class of inhibitors.
Bioorg.Med.Chem., 18, 2010
3MSD
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BU of 3msd by Molmil
Enzyme-Substrate interactions of IXT6, the intracellular xylanase of G. stearothermophilus.
Descriptor: ACETATE ION, GLYCEROL, Intra-cellular xylanase ixt6, ...
Authors:Solomon, V, Zolotnitsky, G, Alhadeff, R, Shoham, Y, Shoham, G.
Deposit date:2010-04-29
Release date:2011-05-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Enzyme-Substrate interactions of IXT6, the intracellular xylanase of G. stearothermophilus.
TO BE PUBLISHED
3MSE
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BU of 3mse by Molmil
Crystal structure of C-terminal domain of PF110239.
Descriptor: CALCIUM ION, Calcium-dependent protein kinase, putative, ...
Authors:Wernimont, A.K, Artz, J.D, Hutchinson, A, Sullivan, H, Weadge, J, Tempel, W, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Lin, Y.H, Neculai, A.M, Amani, M, Structural Genomics Consortium (SGC)
Deposit date:2010-04-29
Release date:2010-06-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of C-terminal domain of PF110239
To be Published
3MSF
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BU of 3msf by Molmil
Crystal structure of Thermolysin in complex with Urea
Descriptor: CALCIUM ION, GLYCEROL, Thermolysin, ...
Authors:Behnen, J, Heine, A, Klebe, G.
Deposit date:2010-04-29
Release date:2011-05-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
Chemmedchem, 7, 2012
3MSG
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BU of 3msg by Molmil
Enzyme-Substrate interactions of IXT6, the intracellular xylanase of G. stearothermophilus.
Descriptor: ACETATE ION, GLYCEROL, Intra-cellular xylanase ixt6, ...
Authors:Solomon, V, Zolotnitsky, G, Alhadeff, R, Shoham, Y, Shoham, G.
Deposit date:2010-04-29
Release date:2011-05-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Enzyme-Substrate interactions of IXT6, the intracellular xylanase of G. stearothermophilus.
TO BE PUBLISHED
3MSH
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BU of 3msh by Molmil
Crystal structure of Hepatitis B X-Interacting Protein at high resolution
Descriptor: GLYCEROL, Hepatitis B virus X-interacting protein, ISOPROPYL ALCOHOL, ...
Authors:Garcia-Saez, I, Skoufias, D.
Deposit date:2010-04-29
Release date:2010-11-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structural Characterization of HBXIP: The Protein That Interacts with the Anti-Apoptotic Protein Survivin and the Oncogenic Viral Protein HBx.
J.Mol.Biol., 405, 2011
3MSI
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BU of 3msi by Molmil
TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12
Descriptor: TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12
Authors:Deluca, C.I, Davies, P.L, Ye, Q, Jia, Z.
Deposit date:1997-09-17
Release date:1998-10-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:The effects of steric mutations on the structure of type III antifreeze protein and its interaction with ice.
J.Mol.Biol., 275, 1998
3MSJ
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BU of 3msj by Molmil
Structure of bace (beta secretase) in complex with inhibitor
Descriptor: 3-(2-amino-5-chloro-1H-benzimidazol-1-yl)propan-1-ol, BETA-SECRETASE 1, GLYCEROL
Authors:Madden, J, Kramer, J, Smith, M.A, Barker, J, Godemann, R.
Deposit date:2010-04-29
Release date:2010-07-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-based discovery and optimization of BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3MSK
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BU of 3msk by Molmil
Fragment Based Discovery and Optimisation of BACE-1 Inhibitors
Descriptor: 4-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-cyclohexyl-N-methylbutanamide, Beta-secretase 1, GLYCEROL, ...
Authors:Smith, M.A, Madden, J.M, Barker, J, Godemann, R, Kraemer, J, Hallett, D.
Deposit date:2010-04-29
Release date:2010-07-14
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-based discovery and optimization of BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010

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