1TT0
 
 | | Crystal Structure of Pyranose 2-Oxidase | | Descriptor: | ACETATE ION, DODECAETHYLENE GLYCOL, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Hallberg, B.M, Leitner, C, Haltrich, D, Divne, C. | | Deposit date: | 2004-06-21 | | Release date: | 2005-06-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the 270 kDa homotetrameric lignin-degrading enzyme pyranose 2-oxidase
J.Mol.Biol., 341, 2004
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2W4Q
 | | Crystal structure of human zinc-binding alcohol dehydrogenase 1 (ZADH1) in ternary complex with NADP and 18beta-glycyrrhetinic acid | | Descriptor: | (3BETA,5BETA,14BETA)-3-HYDROXY-11-OXOOLEAN-12-EN-29-OIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROSTAGLANDIN REDUCTASE 2, ... | | Authors: | Shafqat, N, Yue, W.W, Ugochukwu, E, Picaud, S, Niesen, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | | Deposit date: | 2008-11-30 | | Release date: | 2009-01-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Human Zinc-Binding Alcohol Dehydrogenase 1
To be Published
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1JG4
 | | Crystal Structure of L-isoaspartyl (D-aspartyl) O-methyltransferase with S-adenosylmethionine | | Descriptor: | S-ADENOSYLMETHIONINE, protein-L-isoaspartate O-methyltransferase | | Authors: | Griffith, S.C, Sawaya, M.R, Boutz, D, Thapar, N, Katz, J, Clarke, S, Yeates, T.O. | | Deposit date: | 2001-06-22 | | Release date: | 2001-11-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of a protein repair methyltransferase from Pyrococcus furiosus with its L-isoaspartyl peptide substrate.
J.Mol.Biol., 313, 2001
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1JBV
 | | FPGS-AMPPCP complex | | Descriptor: | FOLYLPOLYGLUTAMATE SYNTHASE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | | Authors: | Sun, X, Cross, J.A, Bognar, A.L, Baker, E.N, Smith, C.A. | | Deposit date: | 2001-06-06 | | Release date: | 2001-09-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Folate-binding triggers the activation of folylpolyglutamate synthetase.
J.Mol.Biol., 310, 2001
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4WW7
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6YX0
 | | Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid | | Descriptor: | 4-[[2-(4-oxidanylidenebutanoyl)hydrazinyl]methyl]benzoic acid, PWQ-THR-ARG-LEU, SH3 and multiple ankyrin repeat domains protein 1 | | Authors: | Hegedus, Z, Hobor, F, Shoemark, D.K, Celis, S, Trinh, C.H, Sessions, R.B, Edwards, T.A, Wilson, A.J. | | Deposit date: | 2020-04-30 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation.
Chem Sci, 12, 2021
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3K5U
 | | Identification, SAR Studies and X-ray Cocrystal Analysis of a Novel Furano-pyrimidine Aurora Kinase A Inhibitor | | Descriptor: | 2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL, Serine/threonine-protein kinase 6 | | Authors: | Wu, J.S, Leou, J.S, Coumar, M.S, Hsieh, H.P, Wu, S.Y. | | Deposit date: | 2009-10-08 | | Release date: | 2010-10-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Identification, SAR studies, and X-ray co-crystallographic analysis of a novel furanopyrimidine aurora kinase A inhibitor
Chemmedchem, 5, 2010
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2PN7
 | | Human gamma-glutamyl cyclotransferase | | Descriptor: | human gamma-glutamyl cyclotransferase | | Authors: | Oakley, A.J, Board, P.G. | | Deposit date: | 2007-04-24 | | Release date: | 2007-05-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | The identification and structural characterization of C7orf24 as gamma-glutamyl cyclotransferase. An essential enzyme in the gamma-glutamyl cycle.
J.Biol.Chem., 283, 2008
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2PFK
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6YWZ
 | | Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid | | Descriptor: | 2-[(~{E})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid, ARGININE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Hegedus, Z, Hobor, F, Shoemark, D.K, Celis, S, Lian, L.J, Trinh, C.H, Sessions, R.B, Edwards, T.A, Wilson, A.J. | | Deposit date: | 2020-04-30 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation.
Chem Sci, 12, 2021
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1MF8
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1MHE
 | | THE HUMAN NON-CLASSICAL MAJOR HISTOCOMPATIBILITY COMPLEX MOLECULE HLA-E | | Descriptor: | BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN HLA-E, PEPTIDE (VMAPRTVLL), ... | | Authors: | O'Callaghan, C.A, Tormo, J, Willcox, B.E, Braud, V.B, Jakobsen, B.K, Stuart, D.I, Mcmichael, A.J, Bell, J.I, Jones, E.Y. | | Deposit date: | 1998-08-24 | | Release date: | 1999-03-23 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural features impose tight peptide binding specificity in the nonclassical MHC molecule HLA-E.
Mol.Cell, 1, 1998
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4A84
 | | Crystal Structure of Major Birch Pollen Allergen Bet v 1 a F30V mutant in complex with deoxycholate. | | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, (4S)-2-METHYL-2,4-PENTANEDIOL, MAJOR POLLEN ALLERGEN BET V 1-A, ... | | Authors: | Kofler, S, Brandstetter, H. | | Deposit date: | 2011-11-18 | | Release date: | 2012-05-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1.
J.Mol.Biol., 422, 2012
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1HWJ
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1HW8
 | | COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH COMPACTIN (ALSO KNOWN AS MEVASTATIN) | | Descriptor: | (3R,5R)-3,5-dihydroxy-7-[(1S,2S,8S,8aR)-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]h eptanoic acid, ADENOSINE-5'-DIPHOSPHATE, HMG-COA REDUCTASE | | Authors: | Istvan, E.S, Deisenhofer, J. | | Deposit date: | 2001-01-09 | | Release date: | 2001-05-11 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural mechanism for statin inhibition of HMG-CoA reductase.
Science, 292, 2001
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2OQJ
 | | Crystal structure analysis of Fab 2G12 in complex with peptide 2G12.1 | | Descriptor: | Fab 2G12 heavy chain, Fab 2G12 light chain, peptide 2G12.1 (ACPPSHVLDMRSGTCLAAEGK) | | Authors: | Calarese, D.A, Stanfield, R.L, Menendez, A, Scott, J.K, Wilson, I.A. | | Deposit date: | 2007-01-31 | | Release date: | 2008-01-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A peptide inhibitor of HIV-1 neutralizing antibody 2G12 is not a structural mimic of the natural carbohydrate epitope on gp120.
Faseb J., 22, 2008
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1HWL
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3KLT
 | | Crystal structure of a vimentin fragment | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CALCIUM ION, HEXAETHYLENE GLYCOL, ... | | Authors: | Nicolet, S, Strelkov, S.V. | | Deposit date: | 2009-11-09 | | Release date: | 2010-05-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Atomic structure of vimentin coil 2.
J.Struct.Biol., 170, 2010
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3KTW
 | | Crystal structure of the SRP19/S-domain SRP RNA complex of Sulfolobus solfataricus | | Descriptor: | MAGNESIUM ION, POTASSIUM ION, SRP RNA, ... | | Authors: | Wild, K, Bange, G, Bozkurt, G, Sinning, I. | | Deposit date: | 2009-11-26 | | Release date: | 2010-02-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural insights into the assembly of the human and archaeal signal recognition particles.
Acta Crystallogr.,Sect.D, 66, 2010
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6PUD
 | | Structure of human MAIT A-F7 TCR in complex with human MR1-5'OH-Pentyl-5-OP-U | | Descriptor: | 6-[(5-hydroxypentyl)amino]-5-[(E)-propylideneamino]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, Human TCR alpha chain, ... | | Authors: | Awad, W, Rossjohn, J. | | Deposit date: | 2019-07-18 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
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6PUU
 | | Human TRPM2 bound to 8-Br-cADPR and calcium | | Descriptor: | (2R,3R,4S,5R,13R,14S,15R,16R)-24-amino-18-bromo-3,4,14,15-tetrahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8 ,10-diphosphapentacyclo[18.3.1.1^2,5^.1^13,16^.0^17,21^]hexacosa-1(24),18,20,22-tetraene-8,10-diolate 8,10-dioxide, CALCIUM ION, Transient receptor potential cation channel subfamily M member 2 | | Authors: | Du, J, Lu, W, Huang, Y. | | Deposit date: | 2019-07-18 | | Release date: | 2019-09-25 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Ligand recognition and gating mechanism through three ligand-binding sites of human TRPM2 channel.
Elife, 8, 2019
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2VHV
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4YAX
 | | Crystal structure of TRIM24 PHD-bromodomain complexed with N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzenesulfonamide (5g) | | Descriptor: | GLYCEROL, N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide, SULFATE ION, ... | | Authors: | Poncet-Montange, G, Palmer, W, Jones, P. | | Deposit date: | 2015-02-18 | | Release date: | 2015-06-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.25 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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3JV6
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1UMS
 | | STROMELYSIN-1 CATALYTIC DOMAIN WITH HYDROPHOBIC INHIBITOR BOUND, PH 7.0, 32OC, 20 MM CACL2, 15% ACETONITRILE; NMR ENSEMBLE OF 20 STRUCTURES | | Descriptor: | CALCIUM ION, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-L-leucyl-L-phenylalaninamide, STROMELYSIN-1, ... | | Authors: | Van Doren, S.R, Kurochkin, A.V, Hu, W, Zuiderweg, E.R.P. | | Deposit date: | 1995-10-31 | | Release date: | 1996-03-08 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the catalytic domain of human stromelysin complexed with a hydrophobic inhibitor.
Protein Sci., 4, 1995
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