6QQI
 
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3KXO
 | | An orally active inhibitor bound at the active site of HPGDS | | Descriptor: | 6-(3-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide, GLUTATHIONE, Glutathione-requiring prostaglandin D synthase, ... | | Authors: | Kiefer, J.R, Day, J.E, Thorarensen, A. | | Deposit date: | 2009-12-03 | | Release date: | 2010-09-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of an oral potent selective inhibitor of hematopoietic prostaglandin D synthase
TO BE PUBLISHED
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7UPI
 | | Cryo-EM structure of SHOC2-PP1c-MRAS holophosphatase complex | | Descriptor: | CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, Leucine-rich repeat protein SHOC-2, ... | | Authors: | Fuller, J.R, Hajian, B, Lemke, C, Kwon, J, Bian, Y, Aguirre, A. | | Deposit date: | 2022-04-15 | | Release date: | 2022-05-04 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Structure-function analysis of the SHOC2-MRAS-PP1C holophosphatase complex.
Nature, 609, 2022
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1Q6D
 | | Crystal structure of Soybean Beta-Amylase Mutant (M51T) with Increased pH Optimum | | Descriptor: | SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, ... | | Authors: | Hirata, A, Adachi, M, Sekine, A, Kang, Y.N, Utsumi, S, Mikami, B. | | Deposit date: | 2003-08-13 | | Release date: | 2004-02-24 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and Enzymatic Analysis of Soybean {beta}-Amylase Mutants with Increased pH Optimum
J.Biol.Chem., 279, 2004
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5U81
 | | Acid ceramidase (ASAH1, aCDase) from naked mole rat, Cys143Ala, uncleaved | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acid ceramidase isoform b, CHLORIDE ION, ... | | Authors: | Gebai, A, Gorelik, A, Illes, K, Nagar, B. | | Deposit date: | 2016-12-13 | | Release date: | 2018-03-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural basis for the activation of acid ceramidase.
Nat Commun, 9, 2018
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7AKG
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7APL
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6UFI
 | | W96Y Oxalate Decarboxylase (Bacillus subtilis) | | Descriptor: | CHLORIDE ION, Cupin domain-containing protein, GLYCEROL, ... | | Authors: | Pastore, A.J, Burg, M.J, Twahir, U.T, Bruner, S.D, Angerhofer, A. | | Deposit date: | 2019-09-24 | | Release date: | 2020-09-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Oxalate decarboxylase uses electron hole hopping for catalysis.
J.Biol.Chem., 297, 2021
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2B5J
 | | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with JANSSEN-R165481 | | Descriptor: | (2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE, MANGANESE (II) ION, Reverse transcriptase P51 SUBUNIT, ... | | Authors: | Himmel, D.H, Das, K, Clark Jr, A.D, Hughes, S.H, Benjahad, A, Oumouch, S, Guillemont, J, Coupa, S, Poncelet, A, Csoka, I, Meyer, C, Andries, K, Mguyen, C.H, Grierson, D.S, Arnold, E. | | Deposit date: | 2005-09-28 | | Release date: | 2005-12-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structures for HIV-1 Reverse Transcriptase in Complexes with Three Pyridinone Derivatives: A New Class of Non-Nucleoside Inhibitors Effective against a Broad Range of Drug-Resistant Strains.
J.Med.Chem., 48, 2005
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3BO8
 | | The High Resolution Crystal Structure of HLA-A1 Complexed with the MAGE-A1 Peptide | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Kumar, P, Vahedi-Faridi, A, Saenger, W, Ziegler, A, Uchanska-Ziegler, B. | | Deposit date: | 2007-12-17 | | Release date: | 2008-12-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Conformational changes within the HLA-A1:MAGE-A1 complex induced by binding of a recombinant antibody fragment with TCR-like specificity
Protein Sci., 18, 2009
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3L3K
 | | Crystal structure of HLA-B*4402 in complex with the R5A/F7A double mutant of a self-peptide derived from DPA*0201 | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Theodossis, A, Ely, L.K, Rossjohn, J. | | Deposit date: | 2009-12-17 | | Release date: | 2010-03-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Constraints within major histocompatibility complex class I restricted peptides: presentation and consequences for T-cell recognition
Proc.Natl.Acad.Sci.USA, 107, 2010
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2AIH
 | | 1H-NMR solution structure of a trypsin/chymotrypsin Bowman-Birk inhibitor from Lens culinaris. | | Descriptor: | Bowman-Birk type protease inhibitor, LCTI, CHLORIDE ION | | Authors: | Ragg, E.M, Galbusera, V, Scarafoni, A, Negri, A, Tedeschi, G, Consonni, A, Sessa, F, Duranti, M. | | Deposit date: | 2005-07-29 | | Release date: | 2006-08-01 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | Inhibitory properties and solution structure of a potent Bowman-Birk protease inhibitor from lentil (Lens culinaris, L) seeds.
Febs J., 273, 2006
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4AYR
 | | Structure of The GH47 processing alpha-1,2-mannosidase from Caulobacter strain K31 in complex with noeuromycin | | Descriptor: | (3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-2-ONE, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CALCIUM ION, ... | | Authors: | Thompson, A.J, Dabin, J, Iglesias-Fernandez, J, Iglesias-Fernandez, A, Dinev, Z, Williams, S.J, Siriwardena, A, Moreland, C, Hu, T.C, Smith, D.K, Gilbert, H.J, Rovira, C, Davies, G.J. | | Deposit date: | 2012-06-21 | | Release date: | 2013-01-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | The Reaction Coordinate of a Bacterial Gh47 Alpha-Mannosidase: A Combined Quantum Mechanical and Structural Approach.
Angew.Chem.Int.Ed.Engl., 51, 2012
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4WZ2
 | | Crystal structure of U-box 2 of LubX / LegU2 / Lpp2887 from Legionella pneumophila str. Paris, Ile175Met mutant | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase LubX, HEXANE-1,6-DIOL | | Authors: | Stogios, P.J, Qualie, A.T, Skarina, T, Nocek, B, Di Leo, R, Yim, V, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-11-18 | | Release date: | 2015-01-28 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (3.408 Å) | | Cite: | Molecular Characterization of LubX: Functional Divergence of the U-Box Fold by Legionella pneumophila.
Structure, 23, 2015
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1OBR
 | | CARBOXYPEPTIDASE T | | Descriptor: | CALCIUM ION, CARBOXYPEPTIDASE T, SULFATE ION, ... | | Authors: | Teplyakov, A, Polyakov, K, Obmolova, G, Osterman, A. | | Deposit date: | 1996-06-22 | | Release date: | 1997-01-11 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of carboxypeptidase T from Thermoactinomyces vulgaris.
Eur.J.Biochem., 208, 1992
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5UVL
 | | Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation | | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | | Authors: | Martin-Garcia, J.M, Conrad, C.E, Nelson, G, Stander, N, Zatsepin, N.A, Zook, J, Zhu, L, Geiger, J, Chun, E, Kissick, D, Hilgart, M.C, Ogata, C, Ishchenko, A, Nagaratnam, N, Roy-Chowdhury, S, Coe, J, Subramanian, G, Schaffer, A, James, D, Ketawala, G, Venugopalan, N, Xu, S, Corcoran, S, Ferguson, D, Weierstall, U, Spence, J.C.H, Cherezov, V, Fromme, P, Fischetti, R.F, Liu, W. | | Deposit date: | 2017-02-20 | | Release date: | 2017-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation.
IUCrJ, 4, 2017
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3HPG
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6BRU
 | | Crystal Structure of the Human vaccinia-related kinase bound to a (S)-2-phenylaminopteridinone inhibitor | | Descriptor: | (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5H)-one, 1,2-ETHANEDIOL, SULFATE ION, ... | | Authors: | Counago, R.M, dos Reis, C.V, de Souza, G.P, Aquino, B, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-12-01 | | Release date: | 2017-12-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of the Human vaccinia-related kinase bound to a (S)-2-phenylaminopteridinone inhibitor
To Be Published
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5UNO
 | | Crystal Structure of Hip1 (Rv2224c) | | Descriptor: | Carboxylesterase A | | Authors: | Naffin-Olivos, J.L, Daab, A, White, A, Goldfarb, N, Milne, A.C, Liu, D, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | | Deposit date: | 2017-01-31 | | Release date: | 2017-04-12 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (2.603 Å) | | Cite: | Structure Determination of Mycobacterium tuberculosis Serine Protease Hip1 (Rv2224c).
Biochemistry, 56, 2017
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2AIB
 | | beta-cinnamomin in complex with ergosterol | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-elicitin cinnamomin, ERGOSTEROL, ... | | Authors: | Rodrigues, M.L, Archer, M, Martel, P, Miranda, S, Thomaz, M, Enguita, F.J, Baptista, R.P, Melo, E.P, Sousa, N, Cravador, A, Carrondo, M.A. | | Deposit date: | 2005-07-29 | | Release date: | 2006-01-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal structures of the free and sterol-bound forms of beta-cinnamomin
Biochim.Biophys.Acta, 1764, 2006
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1O9K
 | | Crystal structure of the retinoblastoma tumour suppressor protein bound to E2F peptide | | Descriptor: | RETINOBLASTOMA-ASSOCIATED PROTEIN, TRANSCRIPTION FACTOR E2F1 | | Authors: | Xiao, B, Spencer, J, Clements, A, Ali-Khan, N, Mittnacht, S, Broceno, C, Burghammer, M, Perrakis, A, Marmorstein, R, Gamblin, S.J. | | Deposit date: | 2002-12-16 | | Release date: | 2003-03-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of the Retinoblastoma Tumor Suppressor Protein Bound to E2F and the Molecular Basis of its Regulation
Proc.Natl.Acad.Sci.USA, 100, 2003
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3HYK
 | | 2.31 Angstrom resolution crystal structure of a holo-(acyl-carrier-protein) synthase from Bacillus anthracis str. Ames in complex with CoA (3',5'-ADP) | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, CHLORIDE ION, Holo-[acyl-carrier-protein] synthase, ... | | Authors: | Halavaty, A.S, Minasov, G, Skarina, T, Onopriyenko, O, Papazisi, L, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-06-22 | | Release date: | 2009-06-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structural characterization and comparison of three acyl-carrier-protein synthases from pathogenic bacteria.
Acta Crystallogr.,Sect.D, 68, 2012
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4GUY
 | | Human MMP12 catalytic domain in complex with*N*-Hydroxy-2-(2-(4-methoxyphenyl)ethylsulfonamido)acetamide | | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-hydroxy-N~2~-{[2-(4-methoxyphenyl)ethyl]sulfonyl}glycinamide, ... | | Authors: | Calderone, V, Fragai, M, Luchinat, C, Massaro, A, Mordini, A, Mori, M. | | Deposit date: | 2012-08-30 | | Release date: | 2012-09-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Contribution of free energy of solvation to ligand affinity in new potent MMPs inhibitors.
To be Published
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1B0D
 | | Structural effects of monovalent anions on polymorphic lysozyme crystals | | Descriptor: | LYSOZYME, PARA-TOLUENE SULFONATE | | Authors: | Vaney, M.C, Broutin, I, Retailleau, P, Lafont, S, Hamiaux, C, Prange, T, Ries-Kautt, M, Ducruix, A. | | Deposit date: | 1998-11-07 | | Release date: | 1998-11-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structural effects of monovalent anions on polymorphic lysozyme crystals.
Acta Crystallogr.,Sect.D, 57, 2001
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1K5G
 | | Crystal structure of Ran-GDP-AlFx-RanBP1-RanGAP complex | | Descriptor: | ALUMINUM FLUORIDE, GTP-binding nuclear protein RAN, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Seewald, M.J, Koerner, C, Wittinghofer, A, Vetter, I.R. | | Deposit date: | 2001-10-10 | | Release date: | 2002-02-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | RanGAP mediates GTP hydrolysis without an arginine finger.
Nature, 415, 2002
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