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8IGA
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BU of 8iga by Molmil
Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with GC376
Descriptor: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Wang, J, Zhang, J, Li, J.
Deposit date:2023-02-20
Release date:2024-03-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
3IGA
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BU of 3iga by Molmil
Potassium Channel KcsA-Fab complex in Li+ and K+
Descriptor: Antibody Fab Fragment heavy chain, Antibody Fab fragment light chain, DIACYL GLYCEROL, ...
Authors:Thompson, A.N, Ilsoo, K, Panosian, T.D, Iverson, T.M, Allen, T.W, Nimigean, C.M.
Deposit date:2009-07-27
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Mechanism of potassium-channel selectivity revealed by Na(+) and Li(+) binding sites within the KcsA pore.
Nat.Struct.Mol.Biol., 16, 2009
4IGA
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BU of 4iga by Molmil
The crystal structure of an activated Thermotoga maritima CheY with N-terminal region of FliM
Descriptor: BERYLLIUM TRIFLUORIDE ION, Chemotaxis protein CheY, Flagellar motor switch protein FliM, ...
Authors:Ahn, D.R, Park, S.Y.
Deposit date:2012-12-17
Release date:2013-04-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:The crystal structure of an activated Thermotoga maritima CheY with N-terminal region of FliM.
Int.J.Biol.Macromol., 54, 2013
2IG9
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BU of 2ig9 by Molmil
Structure of a full-length Homoprotocatechuate 2,3-Dioxygenase from B. fuscum in a new spacegroup.
Descriptor: CALCIUM ION, CHLORIDE ION, FE (II) ION, ...
Authors:Kovaleva, E.G, Lipscomb, J.D.
Deposit date:2006-09-22
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of Fe2+ dioxygenase superoxo, alkylperoxo, and bound product intermediates
Science, 316, 2007
5WAH
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BU of 5wah by Molmil
SOLUTION NMR STRUCTURE OF SIGLEC-5 BINDING DOMAIN FROM STREPTOCOCCAL BETA PROTEIN
Descriptor: IgA FC receptor
Authors:ELETSKY, A, CHEN, C, FONG, J.J, NIZET, V, VARKI, A, PRESTEGARD, J.H.
Deposit date:2017-06-26
Release date:2018-06-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:SOLUTION NMR STRUCTURE OF SIGLEC-5 BINDING DOMAIN FROM STREPTOCOCCAL BETA PROTEIN
To Be Published
2MCP
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BU of 2mcp by Molmil
REFINED CRYSTAL STRUCTURE OF THE MC/PC603 FAB-PHOSPHOCHOLINE COMPLEX AT 3.1 ANGSTROMS RESOLUTION
Descriptor: IGA-KAPPA MCPC603 FAB (HEAVY CHAIN), IGA-KAPPA MCPC603 FAB (LIGHT CHAIN), PHOSPHOCHOLINE
Authors:Padlan, E.A, Cohen, G.H, Davies, D.R.
Deposit date:1984-10-15
Release date:1985-01-02
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Refined Crystal Structure of the Mc/Pc603 Fab-Phosphocholine Complex at 3.1 Angstroms Resolution
To be Published
1MCP
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BU of 1mcp by Molmil
PHOSPHOCHOLINE BINDING IMMUNOGLOBULIN FAB MC/PC603. AN X-RAY DIFFRACTION STUDY AT 2.7 ANGSTROMS
Descriptor: IGA-KAPPA MCPC603 FAB (HEAVY CHAIN), IGA-KAPPA MCPC603 FAB (LIGHT CHAIN), SULFATE ION
Authors:Satow, Y, Cohen, G.H, Padlan, E.A, Davies, D.R.
Deposit date:1984-07-09
Release date:1985-01-02
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Phosphocholine binding immunoglobulin Fab McPC603. An X-ray diffraction study at 2.7 A.
J.Mol.Biol., 190, 1986
4A4V
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BU of 4a4v by Molmil
Ligand binding domain of human PPAR gamma in complex with amorfrutin 2
Descriptor: AMORFRUTIN 2, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA
Authors:de Groot, J.C, Weidner, C, Krausze, J, Kawamoto, K, Schroeder, F.C, Sauer, S, Buessow, K.
Deposit date:2011-10-20
Release date:2012-10-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Characterization of Amorfrutins Bound to the Peroxisome Proliferator-Activated Receptor Gamma.
J.Med.Chem., 56, 2013
4A4W
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BU of 4a4w by Molmil
Ligand binding domain of human PPAR gamma in complex with amorfrutin B
Descriptor: AMORFRUTIN B, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA
Authors:de Groot, J.C, Weidner, C, Krausze, J, Kawamoto, K, Schroeder, F.C, Sauer, S, Buessow, K.
Deposit date:2011-10-20
Release date:2012-10-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Characterization of Amorfrutins Bound to the Peroxisome Proliferator-Activated Receptor Gamma.
J.Med.Chem., 56, 2013
1GE5
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BU of 1ge5 by Molmil
ZINC PEPTIDASE FROM GRIFOLA FRONDOSA
Descriptor: PEPTIDYL-LYS METALLOENDOPEPTIDASE, ZINC ION, alpha-D-mannopyranose
Authors:Hori, T, Kumasaka, T, Yamamoto, M, Nonaka, T, Tanaka, N, Hashimoto, Y, Ueki, T, Takio, K.
Deposit date:2000-10-11
Release date:2001-03-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a new 'aspzincin' metalloendopeptidase from Grifola frondosa: implications for the catalytic mechanism and substrate specificity based on several different crystal forms.
Acta Crystallogr.,Sect.D, 57, 2001
1A98
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BU of 1a98 by Molmil
XPRTASE FROM E. COLI COMPLEXED WITH GMP
Descriptor: XANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE
Authors:Vos, S, Parry, R.J, Burns, M.R, De Jersey, J, Martin, J.L.
Deposit date:1998-04-16
Release date:1998-06-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structures of free and complexed forms of Escherichia coli xanthine-guanine phosphoribosyltransferase.
J.Mol.Biol., 282, 1998
4MQ6
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BU of 4mq6 by Molmil
Pantothenate synthase in complex with 2-(5-methoxy-2-(tosylcarbamoyl)-1H-indol-1-yl)acetic acid
Descriptor: (5-methoxy-2-{[(4-methylphenyl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid, 1,2-ETHANEDIOL, ETHANOL, ...
Authors:Silvestre, H.L, Blundell, T.L.
Deposit date:2013-09-15
Release date:2014-08-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
4MUK
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BU of 4muk by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(4-(trifluoromethyl)benzylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid
Descriptor: 1,2-ETHANEDIOL, ETHANOL, Pantothenate synthetase, ...
Authors:Silvestre, H.L, Blundell, T.L.
Deposit date:2013-09-22
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
4MUJ
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BU of 4muj by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(2-(benzylsulfonylcarbamoyl)-5-methoxy-1H-indol-1-yl)acetic acid
Descriptor: 1,2-ETHANEDIOL, ETHANOL, GLYCEROL, ...
Authors:Silvestre, H.L, Blundell, T.L.
Deposit date:2013-09-22
Release date:2014-08-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
4MUL
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BU of 4mul by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(naphthalen-2-ylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid
Descriptor: 1,2-ETHANEDIOL, ETHANOL, Pantothenate synthetase, ...
Authors:Silvestre, H.L, Blundell, T.L.
Deposit date:2013-09-22
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
4MUI
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BU of 4mui by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(4-methoxyphenylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid
Descriptor: (5-methoxy-2-{[(4-methoxyphenyl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid, 1,2-ETHANEDIOL, ETHANOL, ...
Authors:Silvestre, H.L, Blundell, T.L.
Deposit date:2013-09-22
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
4MUH
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BU of 4muh by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(2-(5-acetamido-1,3,4-thiadiazol-2-ylsulfonylcarbamoyl)-5-methoxy-1H-indol-1-yl)acetic acid
Descriptor: 1,2-ETHANEDIOL, ETHANOL, Pantothenate synthetase, ...
Authors:Silvestre, H.L, Blundell, T.L.
Deposit date:2013-09-21
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
4MUE
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BU of 4mue by Molmil
Crystal strcture of pantothenate synthetase in complex with 2-(5-methoxy-2-(4-(trifluoromethyl)phenylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid
Descriptor: 1,2-ETHANEDIOL, ETHANOL, Pantothenate synthetase, ...
Authors:Silvestre, H.L, Blundell, T.L.
Deposit date:2013-09-21
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
4MUF
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BU of 4muf by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(2-(4-tert-butylphenylsulfonylcarbamoyl)-5-methoxy-1H-indol-1-yl)acetic acid
Descriptor: (2-{[(4-tert-butylphenyl)sulfonyl]carbamoyl}-5-methoxy-1H-indol-1-yl)acetic acid, ETHANOL, Pantothenate synthetase
Authors:Silvestre, H.L, Blundell, T.L.
Deposit date:2013-09-21
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
4MUN
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BU of 4mun by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(2-nitro-4-(trifluoromethyl)phenylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid
Descriptor: 1,2-ETHANEDIOL, ETHANOL, GLYCEROL, ...
Authors:Silvestre, H.L, Blundell, T.L.
Deposit date:2013-09-22
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
4MUG
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BU of 4mug by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(morpholinosulfonylcarbamoyl)-1H-indol-1-yl)acetic acid
Descriptor: 1,2-ETHANEDIOL, ETHANOL, GLYCEROL, ...
Authors:Silvestre, H.L, Blundell, T.L.
Deposit date:2013-09-21
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
4EIK
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BU of 4eik by Molmil
Crystal Structure of the Human Fyn SH3 domain in complex with the synthetic peptide VSL12
Descriptor: SODIUM ION, Tyrosine-protein kinase Fyn, VSL12 peptide
Authors:Camara-Artigas, A.
Deposit date:2012-04-05
Release date:2013-04-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallization of and selenomethionine phasing strategy for a SETMAR-DNA complex.
Acta Crystallogr F Struct Biol Commun, 72, 2016
1G12
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BU of 1g12 by Molmil
ZINC PEPTIDASE FROM GRIFOLA FRONDOSA
Descriptor: PEPTIDYL-LYS METALLOENDOPEPTIDASE, ZINC ION, alpha-D-mannopyranose
Authors:Hori, T, Kumasaka, T, Yamamoto, M, Nonaka, T, Tanaka, N, Hashimoto, Y, Ueki, T, Takio, K.
Deposit date:2000-10-10
Release date:2001-03-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of a new 'aspzincin' metalloendopeptidase from Grifola frondosa: implications for the catalytic mechanism and substrate specificity based on several different crystal forms.
Acta Crystallogr.,Sect.D, 57, 2001
1GE7
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BU of 1ge7 by Molmil
ZINC PEPTIDASE FROM GRIFOLA FRONDOSA
Descriptor: PEPTIDYL-LYS METALLOENDOPEPTIDASE, ZINC ION, alpha-D-mannopyranose
Authors:Hori, T, Kumasaka, T, Yamamoto, M, Nonaka, T, Tanaka, N, Hashimoto, Y, Ueki, T, Takio, K.
Deposit date:2000-10-11
Release date:2001-03-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a new 'aspzincin' metalloendopeptidase from Grifola frondosa: implications for the catalytic mechanism and substrate specificity based on several different crystal forms.
Acta Crystallogr.,Sect.D, 57, 2001
5VWS
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BU of 5vws by Molmil
Ligand free structure of Cytochrome P450 TbtJ1
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gober, J.G, Ghodge, S.V, Brustad, E.M, Bowers, A.A.
Deposit date:2017-05-22
Release date:2017-06-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.411 Å)
Cite:P450-Mediated Non-natural Cyclopropanation of Dehydroalanine-Containing Thiopeptides.
ACS Chem. Biol., 12, 2017

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