4JTB
 
 | | Crystal structure of Ribosome inactivating protein from Momordica balsamina complexed with phosphate ion at 1.71 Angstrom resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, rRNA N-glycosidase | | Authors: | Pandey, S, Tyagi, T.K, Singh, A, Kushwaha, G.S, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2013-03-23 | | Release date: | 2013-04-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Crystal structure of Ribosome inactivating protein from Momordica balsamina complexed with phosphate ion at 1.71 Angstrom resolution
To be published
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1GVT
 | | Endothiapepsin complex with CP-80,794 | | Descriptor: | ENDOTHIAPEPSIN, N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R,2S)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-S-methyl-L-cysteinamide, SULFATE ION | | Authors: | Coates, L, Erskine, P.T, Crump, M.P, Wood, S.P, Cooper, J.B. | | Deposit date: | 2002-02-27 | | Release date: | 2002-07-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Five Atomic Resolution Structures of Endothiapepsin Inhibitor Complexes: Implications for the Aspartic Proteinase Mechanism
J.Mol.Biol., 318, 2002
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1TGK
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4B6C
 | | Structure of the M. smegmatis GyrB ATPase domain in complex with an aminopyrazinamide | | Descriptor: | 6-(3,4-dimethylphenyl)-3-[[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]amino]pyrazine-2-carboxamide, DNA gyrase subunit B,DNA gyrase subunit B,DNA gyrase subunit B, SODIUM ION | | Authors: | Tucker, J.A, Shirude, P.S, Madhavapeddi, P, Hussein, S, Basu, R, Ghorpade, S. | | Deposit date: | 2012-08-09 | | Release date: | 2013-01-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Aminopyrazinamides: novel and specific GyrB inhibitors that kill replicating and nonreplicating Mycobacterium tuberculosis.
ACS Chem. Biol., 8, 2013
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2NQ3
 | | Crystal structure of the C2 Domain of Human Itchy Homolog E3 Ubiquitin Protein Ligase | | Descriptor: | CHLORIDE ION, Itchy homolog E3 ubiquitin protein ligase | | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-10-30 | | Release date: | 2006-11-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The C2 Domain of Human Itchy Homolog E3 Ubiquitin Protein Ligase
To be Published
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1T32
 | | A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation | | Descriptor: | 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID, Cathepsin G, SULFATE ION | | Authors: | de Garavilla, L, Greco, M.N, Giardino, E.C, Wells, G.I, Haertlein, B.J, Kauffman, J.A, Corcoran, T.W, Derian, C.K, Eckardt, A.J, Abraham, W.M, Sukumar, N, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E, Andrade-Gordon, P, Damiano, B.P, Maryanoff, B.E. | | Deposit date: | 2004-04-23 | | Release date: | 2005-03-01 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A novel, potent dual inhibitor of the leukocyte proteases cathepsin G and chymase: molecular mechanisms and anti-inflammatory activity in vivo.
J.Biol.Chem., 280, 2005
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4AV2
 | | Single particle electron microscopy of PilQ dodecameric complexes from Neisseria meningitidis. | | Descriptor: | PILP PROTEIN, TYPE IV PILUS BIOGENESIS AND COMPETENCE PROTEIN PILQ | | Authors: | Berry, J.L, Phelan, M.M, Collins, R.F, Adomavicius, T, Tonjum, T, Frye, S.A, Bird, L, Owens, R, Ford, R.C, Lian, L.Y, Derrick, J.P. | | Deposit date: | 2012-05-23 | | Release date: | 2012-10-17 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (26 Å) | | Cite: | Structure and Assembly of a Trans-Periplasmic Channel for Type Iv Pili in Neisseria Meningitidis.
Plos Pathog., 8, 2012
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3TYG
 | | Crystal structure of broad and potent HIV-1 neutralizing antibody PGT128 in complex with a glycosylated engineered gp120 outer domain with miniV3 (eODmV3) | | Descriptor: | Envelope glycoprotein gp160, PGT128 heavy chain, Ig gamma-1 chain C region, ... | | Authors: | Pejchal, R, Huang, P.S, Schief, W.R, Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2011-09-25 | | Release date: | 2011-10-19 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | A potent and broad neutralizing antibody recognizes and penetrates the HIV glycan shield.
Science, 334, 2011
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4JEM
 | | Crystal structure of MilB complexed with cytidine 5'-monophosphate | | Descriptor: | CMP/hydroxymethyl CMP hydrolase, CYTIDINE-5'-MONOPHOSPHATE | | Authors: | Sikowitz, M.D, Cooper, L.E, Begley, T.P, Kaminski, P.A, Ealick, S.E. | | Deposit date: | 2013-02-27 | | Release date: | 2013-09-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.553 Å) | | Cite: | Reversal of the substrate specificity of CMP N-glycosidase to dCMP.
Biochemistry, 52, 2013
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2XRI
 | | Crystal structure of human ERI1 exoribonuclease 3 | | Descriptor: | ERI1 EXORIBONUCLEASE 3, GLYCEROL, MAGNESIUM ION | | Authors: | Welin, M, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Thorsell, A.G, Tresaugues, L, Van Der Berg, S, Wahlberg, E, Weigelt, J, Nordlund, P. | | Deposit date: | 2010-09-15 | | Release date: | 2010-09-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal Structure of Human Eri1 Exoribonuclease 3
To be Published
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1L3B
 | | MT0146, THE PRECORRIN-6Y METHYLTRANSFERASE (CBIT) HOMOLOG FROM M. THERMOAUTOTROPHICUM, C2 SPACEGROUP W/ LONG CELL | | Descriptor: | Precorrin-6y methyltransferase/putative decarboxylase | | Authors: | Keller, J.P, Smith, P.M, Benach, J, Christendat, D, deTitta, G, Hunt, J.F. | | Deposit date: | 2002-02-26 | | Release date: | 2002-11-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | The Crystal Structure of Mt0146/CbiT Suggests that the Putative Precorrin-8W Decarboxylase is a Methyltransferase
Structure, 10, 2002
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2XWY
 | | Structure of MK-3281, a Potent Non-Nucleoside Finger-Loop Inhibitor, in complex with the Hepatitis C Virus NS5B Polymerase | | Descriptor: | (7R)-14-cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl)amino}-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE | | Authors: | Di Marco, S, Baiocco, P. | | Deposit date: | 2010-11-06 | | Release date: | 2010-12-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Discovery of (7R)-14-Cyclohexyl-7-{[2-(Dimethylamino)Ethyl] (Methyl)Amino}-7,8-Dihydro-6H-Indolo[1,2-E][1,5] Benzoxazocine -11-Carboxylic Acid (Mk-3281), a Potent and Orally Bioavailable Finger-Loop Inhibitor of the Hepatitis C Virus Ns5B Polymerase
J.Med.Chem., 54, 2011
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4BBK
 | | Structural and functional characterisation of the kindlin-1 pleckstrin homology domain | | Descriptor: | FERMITIN FAMILY HOMOLOG 1, GLYCEROL | | Authors: | Yates, L.A, Lumb, C.N, Brahme, N.N, Zalyte, R, Bird, L.E, De Colibus, L, Owens, R.J, Calderwood, D.A, Sansom, M.S.P, Gilbert, R.J.C. | | Deposit date: | 2012-09-25 | | Release date: | 2012-11-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and Functional Characterisation of the Kindlin-1 Pleckstrin Homology Domain
J.Biol.Chem., 287, 2012
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1QFO
 | | N-TERMINAL DOMAIN OF SIALOADHESIN (MOUSE) IN COMPLEX WITH 3'SIALYLLACTOSE | | Descriptor: | N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, PROTEIN (SIALOADHESIN) | | Authors: | May, A.P, Robinson, R.C, Vinson, M, Crocker, P.R, Jones, E.Y. | | Deposit date: | 1999-04-12 | | Release date: | 1999-04-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of the N-terminal domain of sialoadhesin in complex with 3' sialyllactose at 1.85 A resolution.
Mol.Cell, 1, 1998
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1HHN
 | | Calreticulin P-domain | | Descriptor: | CALRETICULIN | | Authors: | Ellgaard, L, Riek, R, Herrmann, T, Guntert, P, Braun, D, Helenius, A, Wuthrich, K. | | Deposit date: | 2000-12-22 | | Release date: | 2001-03-08 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR Structure of the Calreticulin P-Domain
Proc.Natl.Acad.Sci.USA, 98, 2001
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4CN7
 | | Crystal Structure of the Human Retinoid X Receptor DNA-Binding Domain Bound to an idealized DR1 Response Element | | Descriptor: | 5'-D(*CP*TP*AP*GP*GP*TP*CP*AP*AP*AP*GP*GP*TP*CP *AP*GP)-3', 5'-D(*CP*TP*GP*AP*CP*CP*TP*TP*TP*GP*AP*CP*CP*TP *AP*GP)-3', CHLORIDE ION, ... | | Authors: | McEwen, A.G, Poussin-Courmontagne, P, Osz, J, Rochel, N. | | Deposit date: | 2014-01-21 | | Release date: | 2015-02-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structural Basis of Natural Promoter Recognition by the Retinoid X Nuclear Receptor.
Sci.Rep., 5, 2015
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3U72
 | | Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Isoniazid at 2.2 A Resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(DIAZENYLCARBONYL)PYRIDINE, ... | | Authors: | Shukla, P.K, Gautam, L, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2011-10-13 | | Release date: | 2011-11-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Isoniazid at 2.2 A Resolution
To be Published
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1UMX
 | | PHOTOSYNTHETIC REACTION CENTER MUTANT WITH ARG M267 REPLACED WITH LEU (CHAIN M, R267L) | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN B, FE (III) ION, ... | | Authors: | Fyfe, P.K, Isaacs, N.W, Cogdell, R.J, Jones, M.R. | | Deposit date: | 2003-09-02 | | Release date: | 2004-06-29 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Disruption of a specific molecular interaction with a bound lipid affects the thermal stability of the purple bacterial reaction centre.
Biochim.Biophys.Acta, 1608, 2004
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1LOV
 | | X-ray structure of the E58A mutant of Ribonuclease T1 complexed with 3'-guanosine monophosphate | | Descriptor: | CALCIUM ION, GUANOSINE-3'-MONOPHOSPHATE, Guanyl-specific ribonuclease T1 | | Authors: | Mignon, P, Steyaert, J, Loris, R, Geerlings, P, Loverix, S. | | Deposit date: | 2002-05-07 | | Release date: | 2002-08-21 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A nucleophile activation dyad in ribonucleases. A combined X-ray crystallographic/ab initio quantum chemical study
J.Biol.Chem., 277, 2002
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2A4G
 | | Hepatitis C Protease NS3-4A serine protease with Ketoamide Inhibitor SCH225724 Bound | | Descriptor: | ({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER, NS3 protease/helicase, NS4a peptide, ... | | Authors: | Arasappan, A, Njoroge, F.G, Chan, T.Y, Bennett, F, Bogen, S.L, Chen, K, Gu, H, Hong, L, Jao, E, Liu, Y.T, Lovey, R.G, Parekh, T, Pike, R.E, Pinto, P, Santhanam, B, Venkatraman, S, Vaccaro, H, Wang, H, Yang, X, Zhu, Z, Mckittrick, B, Saksena, A.K, Girijavallabhan, V, Pichardo, J, Butkiewicz, N, Ingram, R, Malcolm, B, Prongay, A.J, Yao, N, Marten, B, Madison, V, Kemp, S, Levy, O, Lim-Wilby, M, Tamura, S, Ganguly, A.K. | | Deposit date: | 2005-06-28 | | Release date: | 2006-07-04 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Hepatitis C virus NS3-4a serine protease inhibitors. SAR of P2' moiety with improved potency.
Bioorg.Med.Chem.Lett., 15, 2005
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1GVU
 | | Endothiapepsin complex with H189 | | Descriptor: | ENDOTHIAPEPSIN, INHIBITOR, H189, ... | | Authors: | Coates, L, Erskine, P.T, Crump, M.P, Wood, S.P, Cooper, J.B. | | Deposit date: | 2002-02-27 | | Release date: | 2002-07-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (0.94 Å) | | Cite: | Five Atomic Resolution Structures of Endothiapepsin Inhibitor Complexes: Implications for the Aspartic Proteinase Mechanism
J.Mol.Biol., 318, 2002
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1LU5
 | | 2.4 Angstrom Crystal Structure of the Asymmetric Platinum Complex {Pt(ammine)(cyclohexylamine)}2+ Bound to a Dodecamer DNA Duplex | | Descriptor: | 5'-D(*CP*CP*TP*CP*TP*GP*GP*TP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*AP*CP*CP*AP*GP*AP*GP*G)-3', CIS-(AMMINE)(CYCLOHEXYLAMINE)PLATINUM(II) COMPLEX | | Authors: | Silverman, A.P, Bu, W, Cohen, S.M, Lippard, S.J. | | Deposit date: | 2002-05-21 | | Release date: | 2002-12-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 2.4-A Crystal Structure of the Asymmetric Platinum Complex {Pt(ammine)(cyclohexylamine)}2+ Bound to
a Dodecamer DNA Duplex
J.Biol.Chem., 277, 2002
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3GG3
 | | Crystal Structure of the Bromodomain of Human PCAF | | Descriptor: | CHLORIDE ION, Histone acetyltransferase PCAF | | Authors: | Filippakopoulos, P, Keates, T, Picaud, S, Rehana, K, Fedorov, O, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-02-27 | | Release date: | 2009-03-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
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1ZWT
 | | Structure of the globular head domain of the bundlin, BfpA, of the bundle-forming pilus of Enteropathogenic E.coli | | Descriptor: | Major structural subunit of bundle-forming pilus | | Authors: | Ramboarina, S, Fernandes, P.J, Daniell, S, Islam, S, Frankel, G, Booy, F, Donnenberg, M.S, Matthews, S. | | Deposit date: | 2005-06-06 | | Release date: | 2005-10-04 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | Structure of the Bundle-forming Pilus from Enteropathogenic Escherichia coli
J.Biol.Chem., 280, 2005
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2NLM
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