4WDR
 
 | | Crystal structure of haloalkane dehalogenase LinB 140A+143L+177W+211L mutant (LinB86) from Sphingobium japonicum UT26 | | Descriptor: | CALCIUM ION, CHLORIDE ION, Haloalkane dehalogenase | | Authors: | Degtjarik, O, Rezacova, P, Iermak, I, Chaloupkova, R, Damborsky, J, Kuta-Smatanova, I. | | Deposit date: | 2014-09-09 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of haloalkane dehalogenase LinB mutant (L177W) from Sphingobium japonicum UT26
Acs Catalysis, 2016
|
|
6E4L
 | | The structure of the N-terminal domain of human clathrin heavy chain 1 (nTD) in complex with ES9 | | Descriptor: | 1,2-ETHANEDIOL, 5-bromo-N-(4-nitrophenyl)thiophene-2-sulfonamide, ACETATE ION, ... | | Authors: | Dejonghe, W, Sharma, I, Denoo, B, Munck, S.D, Bulut, H, Mylle, E, Vasileva, M, Lu, Q, Savatin, D.V, Mishev, K, Nerinckx, W, Staes, A, Drozdzecki, A, Audenaert, D, Madder, A, Friml, J, Damme, D.V, Gevaert, K, Haucke, V, Savvides, S, Winne, J, Russinova, E. | | Deposit date: | 2018-07-17 | | Release date: | 2019-04-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Disruption of endocytosis through chemical inhibition of clathrin heavy chain function.
Nat.Chem.Biol., 15, 2019
|
|
149D
 | |
6E3E
 | | Structure of RORgt in complex with a novel inverse agonist. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-[(5R)-5-[(7-fluoro-1,1-dimethyl-2,3-dihydro-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5H)-yl]-5-oxopentanoic acid, Nuclear receptor ROR-gamma, ... | | Authors: | Skene, R.J, Hoffman, I. | | Deposit date: | 2018-07-13 | | Release date: | 2019-07-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Retinoic Acid-Related Orphan Receptor gamma t (ROR gamma t) Agonist Structure-Based Functionality Switching Approach from In House ROR gamma t Inverse Agonist to ROR gamma t Agonist.
J.Med.Chem., 62, 2019
|
|
6E3G
 | | Structure of RORgt in complex with a novel agonist. | | Descriptor: | (5R)-6-acetyl-2-methoxy-N-{4-[(2-methoxyphenyl)methoxy]phenyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide, 1,2-ETHANEDIOL, Nuclear receptor ROR-gamma, ... | | Authors: | Skene, R.J, Hoffman, I. | | Deposit date: | 2018-07-13 | | Release date: | 2019-06-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Retinoic Acid-Related Orphan Receptor gamma t (ROR gamma t) Agonist Structure-Based Functionality Switching Approach from In House ROR gamma t Inverse Agonist to ROR gamma t Agonist.
J.Med.Chem., 62, 2019
|
|
6E5Y
 | | 1.50 Angstrom Resolution Crystal Structure of Argininosuccinate Synthase from Bordetella pertussis in Complex with AMP. | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Argininosuccinate synthase, ... | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Cardona-Correa, A, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-07-23 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | 1.50 Angstrom Resolution Crystal Structure of Argininosuccinate Synthase from Bordetella pertussis in Complex with AMP.
To Be Published
|
|
6ELX
 | | Oryza sativa DWARF14 | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, ... | | Authors: | Andersson, I, Carlsson, G.H, Hasse, D. | | Deposit date: | 2017-09-29 | | Release date: | 2018-05-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The elusive ligand complexes of the DWARF14 strigolactone receptor.
J. Exp. Bot., 69, 2018
|
|
1AB9
 | | CRYSTAL STRUCTURE OF BOVINE GAMMA-CHYMOTRYPSIN | | Descriptor: | GAMMA-CHYMOTRYPSIN, PENTAPEPTIDE (TPGVY), SULFATE ION | | Authors: | Sugio, S, Kashima, A, Inoue, Y, Maeda, I, Nose, T, Shimohigashi, Y. | | Deposit date: | 1997-02-05 | | Release date: | 1997-08-20 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | X-ray crystal structure of a dipeptide-chymotrypsin complex in an inhibitory interaction.
Eur.J.Biochem., 255, 1998
|
|
1AFQ
 | | CRYSTAL STRUCTURE OF BOVINE GAMMA-CHYMOTRYPSIN COMPLEXED WITH A SYNTHETIC INHIBITOR | | Descriptor: | BOVINE GAMMA-CHYMOTRYPSIN, D-leucyl-N-(4-fluorobenzyl)-L-phenylalaninamide, SULFATE ION | | Authors: | Sugio, S, Kashima, A, Inoue, Y, Maeda, I, Nose, T, Shimohigashi, Y. | | Deposit date: | 1997-03-12 | | Release date: | 1997-09-17 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray crystal structure of a dipeptide-chymotrypsin complex in an inhibitory interaction.
Eur.J.Biochem., 255, 1998
|
|
6MGS
 | | Crystal structure of alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde-Decarboxylase with Space Group of C2221 | | Descriptor: | 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, COBALT (II) ION | | Authors: | Yang, Y, Davis, I, Matsui, T, Rubalcava, I, Liu, A. | | Deposit date: | 2018-09-14 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.131 Å) | | Cite: | Quaternary structure of alpha-amino-beta-carboxymuconate-ε-semialdehyde decarboxylase (ACMSD) controls its activity.
J.Biol.Chem., 294, 2019
|
|
4Z68
 | | Hybrid structural analysis of the Arp2/3 regulator Arpin identifies its acidic tail as a primary binding epitope | | Descriptor: | GLU-ILE-ARG-GLU-GLN-GLY-ASP-GLY-ALA-GLU-ASP-GLU, SULFATE ION, Tankyrase-2 | | Authors: | Fetics, S.K, Campanacci, V, Dang, I, Gautreau, A, Cherfils, J. | | Deposit date: | 2015-04-04 | | Release date: | 2015-12-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.859 Å) | | Cite: | Hybrid Structural Analysis of the Arp2/3 Regulator Arpin Identifies Its Acidic Tail as a Primary Binding Epitope.
Structure, 24, 2016
|
|
3T6V
 | | Crystal Structure of Laccase from Steccherinum ochraceum | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ... | | Authors: | Ferraroni, M, Briganti, F, Matera, I, Kolomytseva, M, Golovleva, L, Scozzafava, A, Chernykh, A.M. | | Deposit date: | 2011-07-29 | | Release date: | 2012-04-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Reaction intermediates and redox state changes in a blue laccase from Steccherinum ochraceum observed by crystallographic high/low X-ray dose experiments.
J.Inorg.Biochem., 111, 2012
|
|
3T7H
 | | Atg8 transfer from Atg7 to Atg3: a distinctive E1-E2 architecture and mechanism in the autophagy pathway | | Descriptor: | Ubiquitin-like modifier-activating enzyme ATG7 | | Authors: | Taherbhoy, A.M, Tait, S.W, Kaiser, S.E, Williams, A.H, Deng, A, Nourse, A, Hammel, M, Kurinov, I, Rock, C.O, Green, D.R, Schulman, B.A. | | Deposit date: | 2011-07-30 | | Release date: | 2011-11-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Atg8 transfer from atg7 to atg3: a distinctive e1-e2 architecture and mechanism in the autophagy pathway.
Mol.Cell, 44, 2011
|
|
3T90
 | | Crystal structure of glucosamine-6-phosphate N-acetyltransferase from Arabidopsis thaliana | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Glucose-6-phosphate acetyltransferase 1, SODIUM ION | | Authors: | Grishkovskaya, I, Herter, T, Riegler, H, Usadel, B. | | Deposit date: | 2011-08-02 | | Release date: | 2012-04-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure and functional characterization of a glucosamine-6-phosphate N-acetyltransferase from Arabidopsis thaliana.
Biochem.J., 443, 2012
|
|
3SZL
 | | IspH:Ligand Mutants - wt 70sec | | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | | Authors: | Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M. | | Deposit date: | 2011-07-19 | | Release date: | 2011-11-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis.
J.Mol.Biol., 416, 2012
|
|
3SZO
 | | IspH:HMBPP complex after 3 minutes X-ray pre-exposure | | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | | Authors: | Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M. | | Deposit date: | 2011-07-19 | | Release date: | 2011-11-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis.
J.Mol.Biol., 416, 2012
|
|
4Z2D
 | | Quinolone(Levofloxacin)-DNA cleavage complex of gyrase from S. pneumoniae | | Descriptor: | (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, DNA gyrase subunit A, DNA gyrase subunit B, ... | | Authors: | Laponogov, I, Veselkov, D.A, Pan, X.-S, Selvarajah, J, Crevel, I.M.-T, Fisher, L.M, Sanderson, M.R. | | Deposit date: | 2015-03-29 | | Release date: | 2016-09-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.38 Å) | | Cite: | Structural studies of the drug-stabilized cleavage complexes of topoisomerase IV and gyrase from Streptococcus pneumoniae
To Be Published
|
|
4YZJ
 | |
4Z2C
 | | Quinolone(Moxifloxacin)-DNA cleavage complex of gyrase from S. pneumoniae | | Descriptor: | 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA gyrase subunit A, DNA gyrase subunit B, ... | | Authors: | Laponogov, I, Veselkov, D.A, Pan, X.-S, Selvarajah, J, Crevel, I.M.-T, Fisher, L.M, Sanderson, M.R. | | Deposit date: | 2015-03-29 | | Release date: | 2016-09-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | Structural studies of the drug-stabilized cleavage complexes of topoisomerase IV and gyrase from Streptococcus pneumoniae
To Be Published
|
|
3T7G
 | | Atg8 transfer from Atg7 to Atg3: a distinctive E1-E2 architecture and mechanism in the autophagy pathway | | Descriptor: | Autophagy-related protein 3, Ubiquitin-like modifier-activating enzyme ATG7 | | Authors: | Taherbhoy, A.M, Tait, S.W, Kaiser, S.E, Williams, A.H, Deng, A, Nourse, A, Hammel, M, Kurinov, I, Rock, C.O, Green, D.R, Schulman, B.A. | | Deposit date: | 2011-07-30 | | Release date: | 2011-11-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Atg8 transfer from atg7 to atg3: a distinctive e1-e2 architecture and mechanism in the autophagy pathway.
Mol.Cell, 44, 2011
|
|
4Z53
 | | Quinolone(Trovafloxacin)-DNA cleavage complex of topoisomerase IV from S. pneumoniae | | Descriptor: | DNA topoisomerase 4 subunit B,DNA topoisomerase 4 subunit A, E-site DNA, MAGNESIUM ION, ... | | Authors: | Laponogov, I, Veselkov, D.A, Pan, X.-S, Selvarajah, J, Crevel, I.M.-T, Fisher, L.M, Sanderson, M.R. | | Deposit date: | 2015-04-02 | | Release date: | 2016-09-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.26 Å) | | Cite: | Structural studies of the drug-stabilized cleavage complexes of topoisomerase IV and gyrase from Streptococcus pneumoniae
To Be Published
|
|
3TEO
 | | APO Form of carbon disulfide hydrolase (selenomethionine form) | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, Carbon disulfide hydrolase | | Authors: | Smeulders, M.J, Barends, T.R.M.B, Pol, A, Scherer, A, Zandvoort, M.H, Udvarhelyi, A, Khadem, A, Menzel, A, Hermans, J, Shoeman, R.L, Wessels, H.J.C.T, van den Heuvel, L.P, Russ, L, Schlichting, I, Jetten, M.S.M, Op den Camp, H.J.M. | | Deposit date: | 2011-08-15 | | Release date: | 2011-10-19 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Evolution of a new enzyme for carbon disulphide conversion by an acidothermophilic archaeon.
Nature, 478, 2011
|
|
3TG0
 | | E. coli alkaline phosphatase with bound inorganic phosphate | | Descriptor: | Alkaline phosphatase, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Bobyr, E, Lassila, J.K, Wiersma-Koch, H.I, Fenn, T.D, Lee, J.J, Nikolic-Hughes, I, Hodgson, K.O, Rees, D.C, Hedman, B, Herschlag, D. | | Deposit date: | 2011-08-16 | | Release date: | 2011-11-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | High-resolution analysis of Zn(2+) coordination in the alkaline phosphatase superfamily by EXAFS and x-ray crystallography.
J.Mol.Biol., 415, 2012
|
|
3T6Z
 | | Crystal Structure of Steccherinum ochraceum Laccase obtained by multi-crystals composite data collection technique (60% dose) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, GLYCEROL, ... | | Authors: | Ferraroni, M, Briganti, F, Matera, I, Kolomytseva, M, Golovleva, L, Scozzafava, A, Chernykh, A.M. | | Deposit date: | 2011-07-29 | | Release date: | 2012-04-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Reaction intermediates and redox state changes in a blue laccase from Steccherinum ochraceum observed by crystallographic high/low X-ray dose experiments.
J.Inorg.Biochem., 111, 2012
|
|
3SZ1
 | | Human PPAR gamma ligand binding domain in complex with luteolin and myristic acid | | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, MYRISTIC ACID, Peroxisome proliferator-activated receptor gamma, ... | | Authors: | Puhl, A.C, Bernardes, A, Polikarpov, I. | | Deposit date: | 2011-07-18 | | Release date: | 2012-03-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mode of peroxisome proliferator-activated receptor gamma activation by luteolin.
Mol.Pharmacol., 81, 2012
|
|
