4P73
 
 | | PheRS in complex with compound 1a | | Descriptor: | 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit | | Authors: | Ferguson, A.D. | | Deposit date: | 2014-03-25 | | Release date: | 2014-06-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
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7F1G
 | | BACE2 xaperone complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-2H,3H-[1,4]dioxino[2,3-c]pyridine-7-carboxamide | | Descriptor: | Beta-secretase 2, N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide, XAPERONE | | Authors: | Ueno, T, Matsuoka, E, Asada, N, Yamamoto, S, Kanegawa, N, Ito, M, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | | Deposit date: | 2021-06-09 | | Release date: | 2022-02-23 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of Extremely Selective Fused Pyridine-Derived beta-Site Amyloid Precursor Protein-Cleaving Enzyme (BACE1) Inhibitors with High In Vivo Efficacy through 10s Loop Interactions.
J.Med.Chem., 64, 2021
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4IP2
 | | Putative Aromatic Acid Decarboxylase | | Descriptor: | 1,2-ETHANEDIOL, Aromatic Acid Decarboxylase, GLYCEROL, ... | | Authors: | Schneider, G, Brunner, K, Izumi, A, Jacewicz, A. | | Deposit date: | 2013-01-09 | | Release date: | 2013-07-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural insights into the UbiD protein family from the crystal structure of PA0254 from Pseudomonas aeruginosa.
Plos One, 8, 2013
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3R34
 | | Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant E73D complexed with CoA | | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxybenzoyl-CoA thioesterase, COENZYME A | | Authors: | Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D. | | Deposit date: | 2011-03-15 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
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1SDK
 | | CROSS-LINKED, CARBONMONOXY HEMOGLOBIN A | | Descriptor: | 1,3,5-BENZENETRICARBOXYLIC ACID, CARBON MONOXIDE, HEMOGLOBIN A, ... | | Authors: | Schumacher, M.A, Dixon, M.M, Kluger, R, Jones, R.T, Brennan, R.G. | | Deposit date: | 1996-02-26 | | Release date: | 1996-08-01 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Allosteric transition intermediates modelled by crosslinked haemoglobins.
Nature, 375, 1995
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5U6D
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2IHN
 | | Co-crystal of Bacteriophage T4 RNase H with a fork DNA substrate | | Descriptor: | 5'-D(*CP*TP*AP*AP*CP*TP*TP*TP*GP*AP*GP*GP*CP*AP*GP*AP*CP*C)-3', 5'-D(*GP*GP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*TP*AP*GP*TP*CP*AP*A)-3', Ribonuclease H | | Authors: | Devos, J.M, Mueser, T.C. | | Deposit date: | 2006-09-26 | | Release date: | 2007-08-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of bacteriophage T4 5' nuclease in complex with a branched DNA reveals how FEN-1 family nucleases bind their substrates.
J.Biol.Chem., 282, 2007
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6TJV
 | | Structure of the NDH-1MS complex from Thermosynechococcus elongatus | | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, BETA-CAROTENE, ... | | Authors: | Schuller, J.M, Saura, P, Thiemann, J, Schuller, S.K, Gamiz-Hernandez, A.P, Kurisu, G, Nowaczyk, M.M, Kaila, V.R.I. | | Deposit date: | 2019-11-27 | | Release date: | 2020-02-19 | | Last modified: | 2025-10-01 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Redox-coupled proton pumping drives carbon concentration in the photosynthetic complex I.
Nat Commun, 11, 2020
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7H6H
 | | THE 1.94 A CRYSTAL STRUCTURE OF HUMAN CATHEPSIN G IN COMPLEX WITH 1-[(7-fluoronaphthalen-1-yl)methyl]-3-[[methoxycarbonyl(methyl)amino]methyl]indole-2-carboxylic acid | | Descriptor: | 1-[(7-fluoronaphthalen-1-yl)methyl]-3-{[(methoxycarbonyl)(methyl)amino]methyl}-1H-indole-2-carboxylic acid, Cathepsin G, SULFATE ION, ... | | Authors: | Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H. | | Deposit date: | 2024-04-19 | | Release date: | 2025-03-05 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Crystal structures of human Chymase and Cathepsin G
To be published
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9FFZ
 | | Cryo-EM structure of the alpha1beta3gamma2 GABA(A) receptor in complex with GABA and Nb38 in the short-lived asymmetric desensitised 1 state | | Descriptor: | (19S,22R,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9E)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | | Authors: | Mihaylov, D.B, Malinauskas, T, Aricescu, A.R. | | Deposit date: | 2024-05-23 | | Release date: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structure of the alpha1beta3gamma2 GABA(A) receptor in complex with GABA and Nb38 in the short-lived asymmetric desensitised 1 state
To Be Published
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4LNT
 | | Crystal Structure of tRNA Proline (CGG) Bound to Codon CCC-U on the Ribosome | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Maehigashi, T, Dunkle, J.A, Dunham, C.M. | | Deposit date: | 2013-07-12 | | Release date: | 2014-08-06 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Structural insights into +1 frameshifting promoted by expanded or modification-deficient anticodon stem loops.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4YBT
 | | Crystal structure of TRIM24 PHD-bromodomain complexed with N-{1,3-dimethyl-2-oxo-6-[3-(oxolan-3-ylmethoxy)phenoxy]-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-1-methyl-1H-imidazole-4-sulfonamide (7l) | | Descriptor: | DIMETHYL SULFOXIDE, N-(1,3-dimethyl-2-oxo-6-{3-[(3S)-tetrahydrofuran-3-ylmethoxy]phenoxy}-2,3-dihydro-1H-benzimidazol-5-yl)-1-methyl-1H-imidazole-4-sulfonamide, Transcription intermediary factor 1-alpha, ... | | Authors: | Poncet-Montange, G, Palmer, W, Jones, P. | | Deposit date: | 2015-02-19 | | Release date: | 2015-06-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
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1XMP
 | | Crystal Structure of PurE (BA0288) from Bacillus anthracis at 1.8 Resolution | | Descriptor: | phosphoribosylaminoimidazole carboxylase | | Authors: | Boyle, M.P, Kalliomaa, A.K, Levdikov, V, Blagova, E, Fogg, M.J, Brannigan, J.A, Wilkinson, A.J, Wilson, K.S. | | Deposit date: | 2004-10-04 | | Release date: | 2004-11-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of PurE (BA0288) from Bacillus anthracis at 1.8 A resolution
Proteins, 61, 2005
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2D7L
 | | Solution structure of the HMG box domain from human WD repeat and HMG-box DNA binding protein 1 | | Descriptor: | WD repeat and HMG-box DNA binding protein 1 | | Authors: | Tomizawa, T, Kigawa, T, Saito, K, Koshiba, S, Inoue, M, Kamatari, Y.O, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-11-24 | | Release date: | 2006-05-24 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the HMG box domain from human WD repeat and HMG-box DNA binding protein 1
To be Published
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4PJ9
 | | Structure of human MR1-5-OP-RU in complex with human MAIT TRAJ20 TCR | | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Birkinshaw, R.W, Rossjohn, J. | | Deposit date: | 2014-05-12 | | Release date: | 2014-07-02 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
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1LQC
 | | LAC REPRESSOR HEADPIECE (RESIDUES 1-56), NMR, 32 STRUCTURES | | Descriptor: | LAC REPRESSOR | | Authors: | Slijper, M, Bonvin, A.M.J.J, Boelens, R, Kaptein, R. | | Deposit date: | 1996-08-13 | | Release date: | 1997-02-12 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Refined structure of lac repressor headpiece (1-56) determined by relaxation matrix calculations from 2D and 3D NOE data: change of tertiary structure upon binding to the lac operator.
J.Mol.Biol., 259, 1996
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3N2C
 | | Crystal structure of prolidase eah89906 complexed with n-methylphosphonate-l-proline | | Descriptor: | 1-[(R)-hydroxy(methyl)phosphoryl]-L-proline, PROLIDASE, ZINC ION | | Authors: | Patskovsky, Y, Xu, C, Sauder, J.M, Burley, S.K, Raushel, F.M, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2010-05-17 | | Release date: | 2010-06-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Functional identification and structure determination of two novel prolidases from cog1228 in the amidohydrolase superfamily .
Biochemistry, 49, 2010
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6AY2
 | | Structure of CathB with covalently linked Compound 28 | | Descriptor: | Cathepsin B, N~1~-[(2S)-1-amino-5-(carbamoylamino)pentan-2-yl]-N'~1~-[(1R)-1-(thiophen-3-yl)ethyl]cyclobutane-1,1-dicarboxamide | | Authors: | Kiefer, J.R, Steinbacher, S. | | Deposit date: | 2017-09-07 | | Release date: | 2017-12-27 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of Peptidomimetic Antibody-Drug Conjugate Linkers with Enhanced Protease Specificity.
J. Med. Chem., 61, 2018
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4PLB
 | | Crystal Structure of S.A. gyrase-AM8191 complex | | Descriptor: | 6-[({(1r,4S)-1-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]oct-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one, Chimera protein of DNA gyrase subunits B and A, DNA (5'-D(P*AP*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ... | | Authors: | Lu, J, Patel, S, Soisson, S. | | Deposit date: | 2014-05-16 | | Release date: | 2014-06-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Oxabicyclooctane-linked novel bacterial topoisomerase inhibitors as broad spectrum antibacterial agents.
Acs Med.Chem.Lett., 5, 2014
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4LGA
 | | ABA-mimicking ligand N-(2-OXO-1-PROPYL-1,2,3,4-TETRAHYDROQUINOLIN-6-YL)-1-PHENYLMETHANESULFONAMIDE in complex with ABA receptor PYL2 and PP2C HAB1 | | Descriptor: | Abscisic acid receptor PYL2, MAGNESIUM ION, N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-phenylmethanesulfonamide, ... | | Authors: | Zhou, X.E, Gao, M, Liu, X, Zhang, Y, Xue, X, Melcher, K, Gao, P, Wang, F, Zeng, L, Zhao, Y, Zhao, Y, Deng, P, Zhong, D, Zhu, J.-K, Xu, Y, Xu, H.E. | | Deposit date: | 2013-06-27 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | An ABA-mimicking ligand that reduces water loss and promotes drought resistance in plants.
Cell Res., 23, 2013
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5QPC
 | | Crystal Structure of DCP2 (NUDT20) after initial refinement with no ligand modelled (structure $n) | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ... | | Authors: | Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F. | | Deposit date: | 2019-02-22 | | Release date: | 2019-05-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | PanDDA analysis group deposition of ground-state model
To Be Published
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1C97
 | | S642A:ISOCITRATE COMPLEX OF ACONITASE | | Descriptor: | IRON/SULFUR CLUSTER, ISOCITRIC ACID, MITOCHONDRIAL ACONITASE, ... | | Authors: | Lloyd, S.J, Lauble, H, Prasad, G.S, Stout, C.D. | | Deposit date: | 1999-07-31 | | Release date: | 1999-08-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | The mechanism of aconitase: 1.8 A resolution crystal structure of the S642a:citrate complex.
Protein Sci., 8, 1999
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4LOP
 | | Structural basis of autoactivation of p38 alpha induced by TAB1 (Tetragonal crystal form) | | Descriptor: | 1,2-ETHANEDIOL, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, L(+)-TARTARIC ACID, ... | | Authors: | Chaikuad, A, DeNicola, G.F, Krojer, T, Allerston, C.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Marber, M.S, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-07-13 | | Release date: | 2013-08-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.049 Å) | | Cite: | Mechanism and consequence of the autoactivation of p38 alpha mitogen-activated protein kinase promoted by TAB1.
Nat.Struct.Mol.Biol., 20, 2013
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4AP8
 | | Crystal structure of human Molybdopterin synthase catalytic subunit (MOCS2B) | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, MOLYBDOPTERIN SYNTHASE CATALYTIC SUBUNIT | | Authors: | Vollmar, M, Kiyani, W, Krojer, T, Goubin, S, Allerston, C, Froese, D.S, von Delft, F, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Yue, W.W. | | Deposit date: | 2012-03-30 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Crystal Structure of Human Molybdopterin Synthase Catalytic Subunit (Mocs2B)
To be Published
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4LQY
 | | Crystal Structure of Human ENPP4 with AMP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Albright, R.A, Braddock, D.T. | | Deposit date: | 2013-07-19 | | Release date: | 2013-12-18 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Molecular basis of purinergic signal metabolism by ectonucleotide pyrophosphatase/phosphodiesterases 4 and 1 and implications in stroke.
J.Biol.Chem., 289, 2014
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