7CL6
 
 | | The crystal structure of KanJ in complex with neamine and N-oxalylglycine | | Descriptor: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, Kanamycin B dioxygenase, N-OXALYLGLYCINE, ... | | Authors: | Kitayama, Y, Miyanaga, A, Kudo, F, Eguchi, T. | | Deposit date: | 2020-07-20 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Stepwise Post-glycosylation Modification of Sugar Moieties in Kanamycin Biosynthesis.
Chembiochem, 22, 2021
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1AKP
 | | SEQUENTIAL 1H,13C AND 15N NMR ASSIGNMENTS AND SOLUTION CONFORMATION OF APOKEDARCIDIN | | Descriptor: | APOKEDARCIDIN | | Authors: | Constantine, K.L, Colson, K.L, Wittekind, M, Friedrichs, M.S, Zein, N, Tuttle, J, Langley, D.R, Leet, J.E, Schroeder, D.R, Lam, K.S, Farmer II, B.T, Metzler, W.J, Bruccoleri, R.E, Mueller, L. | | Deposit date: | 1994-06-20 | | Release date: | 1994-08-31 | | Last modified: | 2024-10-16 | | Method: | SOLUTION NMR | | Cite: | Sequential 1H, 13C, and 15N NMR assignments and solution conformation of apokedarcidin.
Biochemistry, 33, 1994
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3ONF
 | | Crystal structure of Lupinus luteus S-adenosyl-L-homocysteine hydrolase in complex with cordycepin | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3'-DEOXYADENOSINE, Adenosylhomocysteinase, ... | | Authors: | Brzezinski, K, Jaskolski, M. | | Deposit date: | 2010-08-28 | | Release date: | 2011-08-31 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | High-resolution structures of complexes of plant S-adenosyl-L-homocysteine hydrolase (Lupinus luteus).
Acta Crystallogr.,Sect.D, 68, 2012
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1AAC
 | | AMICYANIN OXIDIZED, 1.31 ANGSTROMS | | Descriptor: | AMICYANIN, COPPER (II) ION | | Authors: | Cunane, L.M, Chen, Z.-W, Durley, R.C.E, Mathews, F.S. | | Deposit date: | 1995-09-07 | | Release date: | 1996-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | X-ray structure of the cupredoxin amicyanin, from Paracoccus denitrificans, refined at 1.31 A resolution.
Acta Crystallogr.,Sect.D, 52, 1996
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4I5B
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5U8V
 | | Dihydrolipoamide dehydrogenase (LpdG) from Pseudomonas aeruginosa bound to NAD+ | | Descriptor: | DIMETHYL SULFOXIDE, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Glasser, N.R, Wang, B.X, Hoy, J.A, Newman, D.K. | | Deposit date: | 2016-12-15 | | Release date: | 2017-02-15 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The Pyruvate and alpha-Ketoglutarate Dehydrogenase Complexes of Pseudomonas aeruginosa Catalyze Pyocyanin and Phenazine-1-carboxylic Acid Reduction via the Subunit Dihydrolipoamide Dehydrogenase.
J. Biol. Chem., 292, 2017
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7KWT
 | | X-ray Crystal Structure of PlyCB Mutant Y28H | | Descriptor: | PlyCB | | Authors: | Williams, D.E, Broendum, S.S, Hayes, B.K, Drinkwater, N, McGowan, S. | | Deposit date: | 2020-12-02 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | High avidity drives the interaction between the streptococcal C1 phage endolysin, PlyC, with the cell surface carbohydrates of Group A Streptococcus.
Mol.Microbiol., 116, 2021
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5QBV
 | | Crystal structure of human Cathepsin-S with bound ligand | | Descriptor: | Cathepsin S, N-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyridazin-3-yl)benzyl]benzamide | | Authors: | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | | Deposit date: | 2017-08-04 | | Release date: | 2017-12-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.796 Å) | | Cite: | Diazinones as P2 replacements for pyrazole-based cathepsin S inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
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7KWW
 | | X-ray Crystal Structure of PlyCB Mutant K59H | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, PlyCB | | Authors: | Williams, D.E, Broendum, S.S, Hayes, B.K, Drinkwater, N, McGowan, S. | | Deposit date: | 2020-12-02 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High avidity drives the interaction between the streptococcal C1 phage endolysin, PlyC, with the cell surface carbohydrates of Group A Streptococcus.
Mol.Microbiol., 116, 2021
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7KWY
 | | X-ray Crystal Structure of PlyCB Mutant R66K | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, PlyCB | | Authors: | Williams, D.E, Broendum, S.S, Hayes, B.K, Drinkwater, N, McGowan, S. | | Deposit date: | 2020-12-02 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | High avidity drives the interaction between the streptococcal C1 phage endolysin, PlyC, with the cell surface carbohydrates of Group A Streptococcus.
Mol.Microbiol., 116, 2021
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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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4YAM
 | | Crystal structure of LigE-apo form from Sphingobium sp. strain SYK-6 | | Descriptor: | Beta-etherase | | Authors: | Pereira, J.H, McAndrew, R.P, Heins, R.A, Sale, K.L, Simmons, B.A, Adams, P.D. | | Deposit date: | 2015-02-17 | | Release date: | 2015-12-16 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.905 Å) | | Cite: | Structural Basis of Stereospecificity in the Bacterial Enzymatic Cleavage of beta-Aryl Ether Bonds in Lignin.
J.Biol.Chem., 291, 2016
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5N8P
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6ALD
 | | RABBIT MUSCLE ALDOLASE A/FRUCTOSE-1,6-BISPHOSPHATE COMPLEX | | Descriptor: | 1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM), FRUCTOSE-1,6-BIS(PHOSPHATE) ALDOLASE | | Authors: | Choi, K.H, Mazurkie, A.S, Morris, A.J, Utheza, D, Tolan, D.R, Allen, K.N. | | Deposit date: | 1998-12-23 | | Release date: | 2000-01-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of a fructose-1,6-bis(phosphate) aldolase liganded to its natural substrate in a cleavage-defective mutant at 2.3 A(,).
Biochemistry, 38, 1999
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4OLN
 | | Ancestral Steroid Receptor 1 in complex with estrogen response element DNA | | Descriptor: | 5'-D(*CP*CP*AP*GP*GP*TP*CP*AP*GP*AP*GP*TP*GP*AP*CP*CP*TP*GP*A)-3', 5'-D(*TP*CP*AP*GP*GP*TP*CP*AP*CP*TP*CP*TP*GP*AP*CP*CP*TP*GP*G)-3', AncSR1, ... | | Authors: | Ortlund, E.O, Murphy, M.N. | | Deposit date: | 2014-01-24 | | Release date: | 2014-10-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Evolution of DNA specificity in a transcription factor family produced a new gene regulatory module.
Cell(Cambridge,Mass.), 159, 2014
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4ELK
 | | Crystal structure of the Hy19.3 type II NKT TCR | | Descriptor: | ACETATE ION, FORMIC ACID, Hy19.3 TCR alpha chain (mouse variable domain, ... | | Authors: | Girardi, E, Maricic, I, Wang, J, Mac, T.T, Iyer, P, Kumar, V, Zajonc, D.M. | | Deposit date: | 2012-04-10 | | Release date: | 2012-07-25 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Type II natural killer T cells use features of both innate-like and conventional T cells to recognize sulfatide self antigens.
Nat.Immunol., 13, 2012
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7KCO
 | | ROR gamma in complex with SCR2 and compound 3 | | Descriptor: | 1-[(2-chlorophenyl)methyl]-N-{[4-(methylsulfonyl)phenyl]methyl}-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-2'-carboxamide, GLYCEROL, Nuclear receptor ROR-gamma, ... | | Authors: | Durbin, J.D, Guo, S.Y, Stout, S.L, Clawson, D.K. | | Deposit date: | 2020-10-06 | | Release date: | 2021-04-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Defining Target Engagement Required for Efficacy In Vivo at the Retinoic Acid Receptor-Related Orphan Receptor C2 (ROR gamma t).
J.Med.Chem., 64, 2021
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2BEG
 | | 3D Structure of Alzheimer's Abeta(1-42) fibrils | | Descriptor: | Amyloid beta A4 protein | | Authors: | Luhrs, T, Ritter, C, Adrian, M, Riek-Loher, D, Bohrmann, B, Dobeli, H, Schubert, D, Riek, R. | | Deposit date: | 2005-10-24 | | Release date: | 2005-11-22 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | 3D structure of Alzheimer's amyloid-{beta}(1-42) fibrils.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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3DOK
 | | Crystal structure of K103N mutant HIV-1 reverse transcriptase in complex with GW678248. | | Descriptor: | 2-{4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}-N-(2-methyl-4-sulfamoylphenyl)acetamide, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ... | | Authors: | Chamberlain, P.P, Ren, J, Stammers, D.K. | | Deposit date: | 2008-07-04 | | Release date: | 2008-08-12 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis for the improved drug resistance profile of new generation benzophenone non-nucleoside HIV-1 reverse transcriptase inhibitors.
J.Med.Chem., 51, 2008
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6AR9
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2IZ0
 | | PEX inhibitor-home data | | Descriptor: | 1,2-ETHANEDIOL, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ... | | Authors: | Sundaramoorthy, R, Iulek, J, Hunter, W.N. | | Deposit date: | 2006-07-23 | | Release date: | 2007-01-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structures of a Bacterial 6- Phosphogluconate Dehydrogenase Reveal Aspects of Specificity, Mechanism and Mode of Inhibition by Analogues of High-Energy Reaction Intermediates.
FEBS J., 274, 2007
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4IIQ
 | | Crystal structure of a human MAIT TCR in complex with bovine MR1 | | Descriptor: | Beta-2-microglobulin, MHC class I-related protein, Human Mucosal Associated Invariant T cell receptor alpha chain, ... | | Authors: | Lopez-Sagaseta, J, Adams, E.J. | | Deposit date: | 2012-12-20 | | Release date: | 2013-04-24 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | The molecular basis for Mucosal-Associated Invariant T cell recognition of MR1 proteins.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4IDK
 | | HIV-1 reverse transcriptase with bound fragment at the 428 site | | Descriptor: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Bauman, J.D, Patel, D, Arnold, E. | | Deposit date: | 2012-12-12 | | Release date: | 2013-02-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
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6I1T
 | | Calcium structure of Trichoderma reesei Carbohydrate-Active Enzymes Family AA12 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Turbe-Doan, A, Record, E, Lombard, V, Kumar, R, Henrissat, B, Levasseur, A, Garron, M.L. | | Deposit date: | 2018-10-30 | | Release date: | 2019-11-13 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The functional and structural characterization ofTrichoderma reeseidehydrogenase belonging to the PQQ dependent family of Carbohydrate-Active Enzymes Family AA12.
Appl.Environ.Microbiol., 2019
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1E74
 | | NMR SOLUTION STRUCTURE OF ALPHA-CONOTOXIN IM1 POINT MUTATION VARIANT R11E | | Descriptor: | ALPHA-CONOTOXIN IM1(R11E) | | Authors: | Rogers, J.P, Luginbuhl, P, Pemberton, K, Harty, P, Wemmer, D.E, Stevens, R.C. | | Deposit date: | 2000-08-24 | | Release date: | 2000-12-27 | | Last modified: | 2024-11-20 | | Method: | SOLUTION NMR | | Cite: | Structure-Activity Relationships in a Peptidic Alpha7 Nicotinic Acetylcholine Receptor Antagonist
J.Mol.Biol., 304, 2000
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