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7P43
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BU of 7p43 by Molmil
Structure of CgGBE in complex with maltotriose
Descriptor: 1,4-alpha-glucan-branching enzyme, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Ballut, L, Conchou, L, Violot, S, Galisson, F, Aghajari, N.
Deposit date:2021-07-09
Release date:2022-07-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The Candida glabrata glycogen branching enzyme structure reveals unique features of branching enzymes of the Saccharomycetaceae phylum.
Glycobiology, 32, 2022
3KX1
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BU of 3kx1 by Molmil
Cathepsin K in complex with a selective 2-cyano-pyrimidine inhibitor
Descriptor: 4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile, Cathepsin K, SULFATE ION
Authors:Fradera, X, Uitdehaag, J.C.M, van Zeeland, M.
Deposit date:2009-12-02
Release date:2010-03-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
7AZS
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BU of 7azs by Molmil
70S thermus thermophilus ribosome with bound antibiotic lead SEQ-569
Descriptor: (2R,3S,4R,5R,7S,9S,10S,11R,12S,13R)-12-(((2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-2-((S)-1-(((2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)-10-(((2S,3R,6R,E)-3-hydroxy-4-(methoxyimino)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-7-(((2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)carbamoyl)oxy)-6,14-dioxooxacyclotetradecan-4-yl 3-methylbutanoate, 16S rRNA, 23S rRNA, ...
Authors:Jenner, L.B, Yusupov, M, Yusupova, G, Rak, A.
Deposit date:2020-11-17
Release date:2022-06-08
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents.
Cell, 186, 2023
7AZO
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BU of 7azo by Molmil
70S thermus thermophilus ribosome with bound antibiotic lead SEQ-977
Descriptor: (2R,3S,4R,5R,7S,9S,10S,11R,12S,13R)-12-(((2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-2-((S)-1-(((2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)-10-(((2S,3R,4R,6R)-3-hydroxy-4-(methoxyamino)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-7-(((2-((2-nitrophenyl)sulfonamido)ethyl)carbamoyl)oxy)-6,14-dioxooxacyclotetradecan-4-yl 3-methylbutanoate, 16S rRNA, 23S rRNA, ...
Authors:Jenner, L.B, Yusupov, M, Yusupova, G.
Deposit date:2020-11-17
Release date:2022-06-01
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents.
Cell, 186, 2023
3M6F
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BU of 3m6f by Molmil
CD11A I-domain complexed with 6-((5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7- TRIAZASPIRO[4.4]NON-7-YL)NICOTINIC ACID
Descriptor: 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid, Integrin alpha-L, NITRATE ION
Authors:Sheriff, S.
Deposit date:2010-03-15
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic acid (BMS-688521).
J.Med.Chem., 53, 2010
3KW9
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BU of 3kw9 by Molmil
X-ray structure of Cathepsin K covalently bound to a triazine ligand
Descriptor: 4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile, Cathepsin K, trifluoroacetic acid
Authors:Uitdehaag, J.C.M, van Zeeland, M.
Deposit date:2009-12-01
Release date:2010-03-02
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3KWZ
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BU of 3kwz by Molmil
Cathepsin K in complex with a non-selective 2-cyano-pyrimidine inhibitor
Descriptor: 4-(3-piperidin-1-ylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile, Cathepsin K, SULFATE ION
Authors:Fradera, X, Uitdehaag, J.C.M, van Zeeland, M.
Deposit date:2009-12-02
Release date:2010-03-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
3O1G
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BU of 3o1g by Molmil
Cathepsin K covalently bound to a 2-cyano pyrimidine inhibitor with a benzyl P3 group.
Descriptor: Cathepsin K, N-benzyl-3-(2-cyano-6-propylpyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)benzamide, SULFATE ION
Authors:Fradera, X, van Zeeland, M, Uitdehaag, J.C.M.
Deposit date:2010-07-21
Release date:2010-10-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Optimisation of 2-cyano-pyrimidine inhibitors of cathepsin K: improving selectivity over hERG.
Bioorg.Med.Chem.Lett., 20, 2010
1RCW
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BU of 1rcw by Molmil
Crystal structure of CT610 from Chlamydia trachomatis
Descriptor: CT610, FE (III) ION
Authors:Schwarzenbacher, R, Liddington, R.C.
Deposit date:2003-11-04
Release date:2004-05-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the Chlamydia protein CADD reveals a redox enzyme that modulates host cell apoptosis.
J.Biol.Chem., 279, 2004
3O0U
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BU of 3o0u by Molmil
Cathepsin K covalently bound to a cyano-pyrimidine inhibitor with improved selectivity over hERG
Descriptor: 3-{2-[(E)-iminomethyl]-6-propylpyrimidin-4-yl}-N,N-dimethyl-5-(trifluoromethyl)benzamide, Cathepsin K
Authors:Fradera, X, van Zeeland, M, Uitdehaag, J.C.M.
Deposit date:2010-07-20
Release date:2011-03-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Optimisation of 2-cyano-pyrimidine inhibitors of cathepsin K: improving selectivity over hERG.
Bioorg.Med.Chem.Lett., 20, 2010
3HAE
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BU of 3hae by Molmil
Rational development of high-affinity T-cell receptor-like antibodies
Descriptor: Antibody heavy chain, Antibody light chain, Beta-2-microglobulin, ...
Authors:Stewart-Jones, G, Wadle, A, Hombach, A, Shenderov, E, Held, G, Fischer, E.
Deposit date:2009-05-01
Release date:2009-05-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Rational development of high-affinity T-cell receptor-like antibodies
Proc.Natl.Acad.Sci.USA, 106, 2009
2ICA
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BU of 2ica by Molmil
CD11a (LFA1) I-domain complexed with BMS-587101 aka 5-[(5S, 9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro [4.4]non-7-yl]methyl]-3-thiophenecarboxylicacid
Descriptor: 5-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7-TRIAZASPIRO [4.4]NON-7-YL]METHYL]-3-THIOPHENECARBOXYLICACID, Integrin alpha-L
Authors:Sheriff, S, Einspahr, H.
Deposit date:2006-09-12
Release date:2006-12-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Discovery and Development of 5-[(5S,9R)-9- (4-Cyanophenyl)-3-(3,5-dichlorophenyl)-1- methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non- 7-yl-methyl]-3-thiophenecarboxylic acid (BMS-587101)-A Small Molecule Antagonist Leukocyte Function Associated Antigen-1.
J.Med.Chem., 49, 2006
8BUX
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BU of 8bux by Molmil
Rab-binding domain of human MiniBAR
Descriptor: 1,2-ETHANEDIOL, Granule associated Rac and RHOG effector protein 1, MAGNESIUM ION, ...
Authors:Pylypenko, O, Hammich, H, Houdusse, A.
Deposit date:2022-12-01
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:MiniBAR/KIAA0355 is a dual Rac and Rab effector that controls actin contractility and trafficking for successful ciliogenesis
To Be Published
8BUY
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BU of 8buy by Molmil
Rac-binding domain of human MiniBAR
Descriptor: 1,2-ETHANEDIOL, Granule associated Rac and RHOG effector protein 1, SULFATE ION
Authors:Pylypenko, O, Hammich, H, Houdusse, A.
Deposit date:2022-12-01
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:MiniBAR/KIAA0355 is a dual Rac and Rab effector that controls actin contractility and trafficking for successful ciliogenesis
To Be Published
2O7N
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BU of 2o7n by Molmil
CD11A (LFA1) I-domain complexed with 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile
Descriptor: 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile, Integrin alpha-L
Authors:Sheriff, S.
Deposit date:2006-12-11
Release date:2007-03-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Design of LFA-1 antagonists based on a 2,3-dihydro-1H-pyrrolizin-5(7aH)-one scaffold.
Bioorg.Med.Chem.Lett., 17, 2007
8D2J
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BU of 8d2j by Molmil
A novel insecticidal protein from ferns IPD113_Cow.
Descriptor: GLYCEROL, IPD113_Cow
Authors:Maher, M.J.
Deposit date:2022-05-30
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel insecticidal proteins from ferns resemble insecticidal proteins from Bacillus thuringiensis.
Proc.Natl.Acad.Sci.USA, 120, 2023
1TRH
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BU of 1trh by Molmil
TWO CONFORMATIONAL STATES OF CANDIDA RUGOSA LIPASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, LIPASE
Authors:Grochulski, P, Cygler, M.
Deposit date:1993-11-18
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Two conformational states of Candida rugosa lipase.
Protein Sci., 3, 1994
3O31
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BU of 3o31 by Molmil
E81Q mutant of MtNAS in complex with a reaction intermediate
Descriptor: BROMIDE ION, N-[(3S)-3-amino-3-carboxypropyl]-L-glutamic acid, ThermoNicotianamine Synthase
Authors:Dreyfus, C, Pignol, D, Arnoux, P.
Deposit date:2010-07-23
Release date:2011-06-08
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The crystallographic structure of thermoNicotianamine synthase with a synthetic reaction intermediate highlights the sequential processing mechanism.
Chem.Commun.(Camb.), 47, 2011
1CRL
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BU of 1crl by Molmil
INSIGHTS INTO INTERFACIAL ACTIVATION FROM AN 'OPEN' STRUCTURE OF CANDIDA RUGOSA LIPASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LIPASE
Authors:Grochulski, P, Cygler, M.
Deposit date:1993-03-02
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Insights into interfacial activation from an open structure of Candida rugosa lipase.
J.Biol.Chem., 268, 1993
1MRC
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BU of 1mrc by Molmil
PREPARATION, CHARACTERIZATION AND CRYSTALLIZATION OF AN ANTIBODY FAB FRAGMENT THAT RECOGNIZES RNA. CRYSTAL STRUCTURES OF NATIVE FAB AND THREE FAB-MONONUCLEOTIDE COMPLEXES
Descriptor: IGG2B-KAPPA JEL103 FAB (HEAVY CHAIN), IGG2B-KAPPA JEL103 FAB (LIGHT CHAIN), IMIDAZOLE, ...
Authors:Pokkuluri, P.R, Cygler, M.
Deposit date:1994-06-13
Release date:1995-02-14
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Preparation, characterization and crystallization of an antibody Fab fragment that recognizes RNA. Crystal structures of native Fab and three Fab-mononucleotide complexes.
J.Mol.Biol., 243, 1994
1MRD
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BU of 1mrd by Molmil
PREPARATION, CHARACTERIZATION AND CRYSTALLIZATION OF AN ANTIBODY FAB FRAGMENT THAT RECOGNIZES RNA. CRYSTAL STRUCTURES OF NATIVE FAB AND THREE FAB-MONONUCLEOTIDE COMPLEXES
Descriptor: IGG2B-KAPPA JEL103 FAB (HEAVY CHAIN), IGG2B-KAPPA JEL103 FAB (LIGHT CHAIN), IMIDAZOLE, ...
Authors:Pokkuluri, P.R, Cygler, M.
Deposit date:1994-06-13
Release date:1995-02-14
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Preparation, characterization and crystallization of an antibody Fab fragment that recognizes RNA. Crystal structures of native Fab and three Fab-mononucleotide complexes.
J.Mol.Biol., 243, 1994
5IXF
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BU of 5ixf by Molmil
Solution structure of the STAM2 SH3 with AMSH derived peptide complex
Descriptor: STAM-binding protein, Signal transducing adapter molecule 2
Authors:Hologne, M, Cantrelle, F.X, Trivelli, X, Walker, O.
Deposit date:2016-03-23
Release date:2016-12-07
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:NMR Reveals the Interplay among the AMSH SH3 Binding Motif, STAM2, and Lys63-Linked Diubiquitin.
J.Mol.Biol., 428, 2016
1MRF
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BU of 1mrf by Molmil
PREPARATION, CHARACTERIZATION AND CRYSTALLIZATION OF AN ANTIBODY FAB FRAGMENT THAT RECOGNIZES RNA. CRYSTAL STRUCTURES OF NATIVE FAB AND THREE FAB-MONONUCLEOTIDE COMPLEXES
Descriptor: 2'-DEOXYINOSINE-5'-MONOPHOSPHATE, IGG2B-KAPPA JEL103 FAB (HEAVY CHAIN), IGG2B-KAPPA JEL103 FAB (LIGHT CHAIN), ...
Authors:Pokkuluri, P.R, Cygler, M.
Deposit date:1994-06-13
Release date:1995-02-14
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Preparation, characterization and crystallization of an antibody Fab fragment that recognizes RNA. Crystal structures of native Fab and three Fab-mononucleotide complexes.
J.Mol.Biol., 243, 1994
1MRE
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BU of 1mre by Molmil
PREPARATION, CHARACTERIZATION AND CRYSTALLIZATION OF AN ANTIBODY FAB FRAGMENT THAT RECOGNIZES RNA. CRYSTAL STRUCTURES OF NATIVE FAB AND THREE FAB-MONONUCLEOTIDE COMPLEXES
Descriptor: GUANOSINE-5'-DIPHOSPHATE, IGG2B-KAPPA JEL103 FAB (HEAVY CHAIN), IGG2B-KAPPA JEL103 FAB (LIGHT CHAIN), ...
Authors:Pokkuluri, P.R, Cygler, M.
Deposit date:1994-06-13
Release date:1995-02-14
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Preparation, characterization and crystallization of an antibody Fab fragment that recognizes RNA. Crystal structures of native Fab and three Fab-mononucleotide complexes.
J.Mol.Biol., 243, 1994
1EWY
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BU of 1ewy by Molmil
ANABAENA PCC7119 FERREDOXIN:FERREDOXIN-NADP+-REDUCTASE COMPLEX
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN I, FERREDOXIN-NADP REDUCTASE, ...
Authors:Morales, R, Charon, M.H, Frey, M.
Deposit date:2000-04-28
Release date:2001-02-07
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Crystallographic studies of the interaction between the ferredoxin-NADP+ reductase and ferredoxin from the cyanobacterium Anabaena: looking for the elusive ferredoxin molecule.
Acta Crystallogr.,Sect.D, 56, 2000

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