4N6L
 
 | | Crystal structure of human cystatin E/M | | Descriptor: | Cystatin-M | | Authors: | Dall, E, Brandstetter, H. | | Deposit date: | 2013-10-14 | | Release date: | 2015-02-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.952 Å) | | Cite: | Structure and mechanism of an aspartimide-dependent Peptide ligase in human legumain.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4JCD
 | | S268Y Variant of JC Polyomavirus Major Capsid Protein VP1 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein VP1 | | Authors: | Stehle, T, Stroh, L.J. | | Deposit date: | 2013-02-21 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Progressive multifocal leukoencephalopathy-associated mutations in the JC polyomavirus capsid disrupt lactoseries tetrasaccharide c binding.
MBio, 4, 2013
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4NFE
 | | Human kallikrein-related peptidase 2 in complex with benzamidine | | Descriptor: | BENZAMIDINE, Kallikrein-2, SULFATE ION | | Authors: | Skala, W, Brandstetter, H, Magdolen, V, Goettig, P. | | Deposit date: | 2013-10-31 | | Release date: | 2014-10-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-function analyses of human kallikrein-related peptidase 2 establish the 99-loop as master regulator of activity
J.Biol.Chem., 289, 2014
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3AMC
 | | Crystal structures of Thermotoga maritima Cel5A, apo form and dimer/au | | Descriptor: | Endoglucanase | | Authors: | Wu, T.H, Huang, C.H, Ko, T.P, Lai, H.L, Ma, Y, Cheng, Y.S, Liu, J.R, Guo, R.T. | | Deposit date: | 2010-08-19 | | Release date: | 2011-08-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Diverse substrate recognition mechanism revealed by Thermotoga maritima Cel5A structures in complex with cellotetraose, cellobiose and mannotriose
Biochim.Biophys.Acta, 1814, 2011
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4BW2
 | | The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand | | Descriptor: | 1,2-ETHANEDIOL, 4-((2-(TERT-BUTYL)PHENYL)AMINO)-7-(3,5-dimethylisoxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid, BROMODOMAIN-CONTAINING PROTEIN 4 | | Authors: | Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E. | | Deposit date: | 2013-06-29 | | Release date: | 2013-09-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Naphthyridines as Novel Bet Family Bromodomain Inhibitors.
Chemmedchem, 9, 2014
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4BPU
 | | Crystal structure of human primase in heterodimeric form, comprising PriS and truncated PriL lacking the C-terminal Fe-S domain. | | Descriptor: | DNA PRIMASE LARGE SUBUNIT, DNA PRIMASE SMALL SUBUNIT, GLYCEROL, ... | | Authors: | Kilkenny, M.L, Perera, R.L, Pellegrini, L. | | Deposit date: | 2013-05-28 | | Release date: | 2013-09-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structures of Human Primase Reveal Design of Nucleotide Elongation Site and Mode of Pol Alpha Tethering
Proc.Natl.Acad.Sci.USA, 110, 2013
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7TWU
 | | Crystal structure of human phenylethanolamine N-methyltransferase (PNMT) in complex with (2S)-2-amino-4-(((5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(4-(7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl)butyl)amino)butanoic acid and AdoHcy (SAH) | | Descriptor: | 1,2-ETHANEDIOL, 5'-([(3S)-3-amino-3-carboxypropyl]{4-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]butyl}amino)-5'-deoxyadenosine, CADMIUM ION, ... | | Authors: | Harijan, R.K, Mahmoodi, N, Minnow, Y.V.T, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | Deposit date: | 2022-02-07 | | Release date: | 2023-02-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Cell-Effective Transition-State Analogue of Phenylethanolamine N -Methyltransferase.
Biochemistry, 62, 2023
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7TX2
 | | Crystal structure of human phenylethanolamine N-methyltransferase (PNMT) in complex with (2S)-2-amino-4-(((5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(4-(7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl)butyl)amino)butanoic acid | | Descriptor: | 1,2-ETHANEDIOL, 5'-([(3S)-3-amino-3-carboxypropyl]{4-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]butyl}amino)-5'-deoxyadenosine, Phenylethanolamine N-methyltransferase | | Authors: | Harijan, R.K, Mahmoodi, N, Minnow, Y.V.T, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | Deposit date: | 2022-02-07 | | Release date: | 2023-02-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Cell-Effective Transition-State Analogue of Phenylethanolamine N -Methyltransferase.
Biochemistry, 62, 2023
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1NC2
 | | Crystal Structure of Monoclonal Antibody 2D12.5 Fab Complexed with Y-DOTA | | Descriptor: | (S)-2-(4-(2-(2-HYDROXYETHYLTHIO)-ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE-N,N',N'',N'''-TETRAACETATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Corneillie, T.M, Fisher, A.J, Meares, C.F. | | Deposit date: | 2002-12-04 | | Release date: | 2003-12-16 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of two complexes of the rare-earth-DOTA-binding antibody 2D12.5: ligand generality from a chiral system.
J.Am.Chem.Soc., 125, 2003
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1NC4
 | | Crystal Structure of Monoclonal Antibody 2D12.5 Fab Complexed with Gd-DOTA | | Descriptor: | (S)-2-(4-NITROBENZYL)-1,4,7,10-TETRAAZACYCLODODECANE-N,N',N'',N'''-TETRAACETATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Corneillie, T.M, Fisher, A.J, Meares, C.F. | | Deposit date: | 2002-12-04 | | Release date: | 2003-12-16 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structures of two complexes of the rare-earth-DOTA-binding antibody 2D12.5: ligand generality from a chiral system.
J.Am.Chem.Soc., 125, 2003
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1QJH
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2K0X
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1WVP
 | | Structure of chemically modified myoglobin with distal N-tetrazolyl-histidine E7(64) | | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Makino, M, Sugimoto, H, Kamiya, N, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2004-12-23 | | Release date: | 2005-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Heme environmental structure of a novel artificial myoglobin with a closed heme pocket: site-specific chemical modification producing distal N-tetrazolylhistidine E7 by cyanogen bromide and azide ion
J.Am.Chem.Soc., 113, 1991
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4B8W
 | | Crystal structure of human GDP-L-fucose synthase with bound NADP and GDP, tetragonal crystal form | | Descriptor: | GDP-L-FUCOSE SYNTHASE, GUANOSINE-5'-DIPHOSPHATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Vollmar, M, Krojer, T, Shafqat, N, Rojkova, A, Bunkoczi, G, Pike, A, Chaikuat, A, Carpenter, E, Yue, W.W, Kavanagh, K, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | | Deposit date: | 2012-08-31 | | Release date: | 2012-11-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal Structure of Human Gdp-L-Fucose Synthase with Bound Nadp and Gdp, Tetragonal Crystal Form
To be Published
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1EVJ
 | | CRYSTAL STRUCTURE OF GLUCOSE-FRUCTOSE OXIDOREDUCTASE (GFOR) DELTA1-22 S64D | | Descriptor: | GLUCOSE-FRUCTOSE OXIDOREDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Lott, J.S, Halbig, D, Baker, H.M, Hardman, M.J, Sprenger, G.A, Baker, E.N. | | Deposit date: | 2000-04-20 | | Release date: | 2000-12-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of a truncated mutant of glucose-fructose oxidoreductase shows that an N-terminal arm controls tetramer formation.
J.Mol.Biol., 304, 2000
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4BPX
 | | Crystal structure of human primase in complex with the primase- binding motif of DNA polymerase alpha | | Descriptor: | DNA POLYMERASE ALPHA CATALYTIC SUBUNIT, DNA PRIMASE LARGE SUBUNIT, DNA PRIMASE SMALL SUBUNIT, ... | | Authors: | Kilkenny, M.L, Perera, R.L, Pellegrini, L. | | Deposit date: | 2013-05-28 | | Release date: | 2013-09-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structures of Human Primase Reveal Design of Nucleotide Elongation Site and Mode of Pol Alpha Tethering
Proc.Natl.Acad.Sci.USA, 110, 2013
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3O77
 | | The structure of Ca2+ Sensor (Case-16) | | Descriptor: | CALCIUM ION, CHLORIDE ION, Myosin light chain kinase, ... | | Authors: | Leder, L, Stark, W, Freuler, F, Marsh, M, Meyerhofer, M, Stettler, T, Mayr, L.M, Britanova, O.V, Strukova, L.A, Chudakov, D.M. | | Deposit date: | 2010-07-30 | | Release date: | 2010-09-29 | | Last modified: | 2017-06-21 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The structure of Ca2+ sensor Case16 reveals the mechanism of reaction to low Ca2+ concentrations
Sensors (Basel), 10, 2010
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3QP3
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7V4E
 | | Crystal Structure of VpsR display novel dimeric architecture and c-di-GMP binding: mechanistic implications in oligomerization, ATPase activity and DNA binding. | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), SULFATE ION, VpsR | | Authors: | Chakrabortty, T, Sen, U. | | Deposit date: | 2021-08-12 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Crystal Structure of VpsR Revealed Novel Dimeric Architecture and c-di-GMP Binding Site: Mechanistic Implications in Oligomerization, ATPase Activity and DNA Binding.
J.Mol.Biol., 434, 2022
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3S3X
 | | Structure of chicken acid-sensing ion channel 1 AT 3.0 A resolution in complex with psalmotoxin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Amiloride-sensitive cation channel 2, neuronal, ... | | Authors: | Dawson, R.J.P, Benz, J, Stohler, P, Tetaz, T, Joseph, C, Huber, S, Schmid, G, Huegin, D, Pflimlin, P, Trube, G, Rudolph, M.G, Hennig, M, Ruf, A. | | Deposit date: | 2011-05-18 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Structure of the Acid-sensing ion channel 1 in complex with the gating modifier Psalmotoxin 1.
Nat Commun, 3, 2012
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4AWA
 | | Crystal structure of active legumain in complex with YVAD-CMK at pH 5.0 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LEGUMAIN, SULFATE ION, ... | | Authors: | Dall, E, Brandstetter, H. | | Deposit date: | 2012-06-01 | | Release date: | 2013-06-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanistic and Structural Studies on Legumain Explain its Zymogenicity, Distinct Activation Pathways, and Regulation
Proc.Natl.Acad.Sci.USA, 110, 2013
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3RKZ
 | | Discovery of a stable macrocyclic o-aminobenzamide Hsp90 inhibitor capable of significantly decreasing tumor volume in a mouse xenograft model. | | Descriptor: | (5R,6S)-3-(L-alanyl)-5,6,15,15,18-pentamethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-12,8-(metheno)[1,5,9]triazacyclotetradecino[1,2-a]indole-9-carboxamide, Heat shock protein HSP 90-alpha | | Authors: | Zapf, C.W, Bloom, J.D, Li, Z, Dushin, R.G, Nittoli, T, Otteng, M, Nikitenko, A, Golas, J.M, Liu, H, Lucas, J, Boschelli, F, Vogan, E, Olland, A, Johnson, M, Levin, J.I. | | Deposit date: | 2011-04-18 | | Release date: | 2011-07-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5693 Å) | | Cite: | Discovery of a stable macrocyclic o-aminobenzamide Hsp90 inhibitor which significantly decreases tumor volume in a mouse xenograft model.
Bioorg.Med.Chem.Lett., 21, 2011
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4BW1
 | | The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand | | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxylic acid, BROMODOMAIN-CONTAINING PROTEIN 4 | | Authors: | Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E. | | Deposit date: | 2013-06-29 | | Release date: | 2013-09-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Naphthyridines as Novel Bet Family Bromodomain Inhibitors.
Chemmedchem, 9, 2014
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4BW3
 | | The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand | | Descriptor: | 1,2-ETHANEDIOL, 4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid, BROMODOMAIN-CONTAINING PROTEIN 4 | | Authors: | Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E. | | Deposit date: | 2013-06-29 | | Release date: | 2013-09-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Naphthyridines as Novel Bet Family Bromodomain Inhibitors.
Chemmedchem, 9, 2014
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5NHS
 | | The crystal structure of Xanthomonas albilineans N5, N10-methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) | | Descriptor: | 1,2-ETHANEDIOL, Bifunctional protein FolD | | Authors: | Bueno, R.V, Guido, R.V.C, Maluf, F.V, Lima, G.M.A, Oliveira, A.A. | | Deposit date: | 2017-03-22 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | The crystal structure of Xanthomonas albilineans N5, N10-methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD)
To Be Published
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