6H2Z
 
 | | The crystal structure of human carbonic anhydrase II in complex with 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide. | | Descriptor: | 4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R. | | Deposit date: | 2018-07-17 | | Release date: | 2018-12-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety.
Eur J Med Chem, 163, 2018
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6H33
 | | The crystal structure of human carbonic anhydrase II in complex with 4-(4-phenyl)-4-hydroxy-1-piperidine-1-carbonyl)benzenesulfonamide. | | Descriptor: | 4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R. | | Deposit date: | 2018-07-17 | | Release date: | 2018-12-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety.
Eur J Med Chem, 163, 2018
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6GI0
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6H7S
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3MBY
 | | Ternary complex of DNA Polymerase BETA with template base A and 8oxodGTP in the active site with a dideoxy terminated primer | | Descriptor: | 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | Authors: | Batra, V.K, Beard, W.A, Hou, E.W, Pedersen, L.C, Prasad, R, Wilson, S.H. | | Deposit date: | 2010-03-26 | | Release date: | 2010-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mutagenic conformation of 8-oxo-7,8-dihydro-2'-dGTP in the confines of a DNA polymerase active site.
Nat.Struct.Mol.Biol., 17, 2010
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3MIP
 | | I-MsoI re-designed for altered DNA cleavage specificity (-8GCG) | | Descriptor: | CALCIUM ION, DNA (5'-D(*CP*GP*GP*AP*GP*CP*GP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*CP*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*GP*CP*GP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*CP*GP*CP*TP*CP*CP*G)-3'), ... | | Authors: | Taylor, G.K, Stoddard, B.L. | | Deposit date: | 2010-04-11 | | Release date: | 2010-05-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Computational reprogramming of homing endonuclease specificity at multiple adjacent base pairs.
Nucleic Acids Res., 38, 2010
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3O11
 | | Anti-beta-amyloid antibody c706 fab in space group c2 | | Descriptor: | C706 HEAVY CHAIN variable region, Ig gamma-1 chain C region chimera, C706 LIGHT CHAIN variable region, ... | | Authors: | Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L. | | Deposit date: | 2010-07-20 | | Release date: | 2010-09-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | His-tag binding by antibody C706 mimics beta-amyloid recognition.
J.Mol.Recognit., 24, 2011
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2PTA
 | | PANDINUS TOXIN K-A (PITX-KA) FROM PANDINUS IMPERATOR, NMR, 20 STRUCTURES | | Descriptor: | PANDINUS TOXIN K-ALPHA | | Authors: | Tenenholz, T.C, Rogowski, R.S, Collins, J.H, Blaustein, M.P, Weber, D.J. | | Deposit date: | 1996-11-26 | | Release date: | 1997-12-10 | | Last modified: | 2017-11-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure for Pandinus toxin K-alpha (PiTX-K alpha), a selective blocker of A-type potassium channels.
Biochemistry, 36, 1997
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3G6D
 | | Crystal structure of the complex between CNTO607 Fab and IL-13 | | Descriptor: | CNTO607 Fab Heavy chain, CNTO607 Fab Light chain, Interleukin-13, ... | | Authors: | Teplyakov, A, Obmolova, G, Gilliland, G.L. | | Deposit date: | 2009-02-06 | | Release date: | 2009-04-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Epitope mapping of anti-interleukin-13 neutralizing antibody CNTO607.
J.Mol.Biol., 389, 2009
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1VA0
 | | Crystal Structure of the Native Form of Uroporphyrin III C-methyl transferase from Thermus thermophilus | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Uroporphyrin-III C-methyltransferase | | Authors: | Rehse, P.H, Kitao, T, Tahirov, T.H, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2004-02-05 | | Release date: | 2005-02-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structure of a closed-form uroporphyrinogen-III C-methyltransferase from Thermus thermophilus.
Acta Crystallogr.,Sect.D, 61, 2005
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2Q3A
 | | Crystal Structure of Rhesus Macaque CD8 Alpha-Alpha Homodimer | | Descriptor: | CD8 | | Authors: | Peng, H, Chen, Y, Zong, L, Gao, F, Liu, Y, Gao, G.F. | | Deposit date: | 2007-05-30 | | Release date: | 2008-06-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of Rhesus Macaque CD8 Homodimer Sheds the Lights on the Molecular Basis of Rhesus Macaque MHC class I with CD8 Complex
To be Published
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2Q6F
 | | Crystal structure of infectious bronchitis virus (IBV) main protease in complex with a Michael acceptor inhibitor N3 | | Descriptor: | Infectious bronchitis virus (IBV) main protease, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | | Authors: | Xue, X.Y, Yang, H.T, Xue, F, Bartlam, M, Rao, Z.H. | | Deposit date: | 2007-06-05 | | Release date: | 2008-02-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of two coronavirus main proteases: implications for substrate binding and antiviral drug design.
J.Virol., 82, 2008
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3Q0L
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3Q0M
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1UTZ
 | | Crystal Structure of MMP-12 complexed to (2R)-3-({[4-[(pyridin-4-yl)phenyl]-thien-2-yl}carboxamido)(phenyl)propanoic acid | | Descriptor: | (2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID, ACETOHYDROXAMIC ACID, CALCIUM ION, ... | | Authors: | Morales, R, Perrier, S, Florent, J.M, Beltra, J, Dufour, S, De Mendez, I, Manceau, P, Tertre, A, Moreau, F, Compere, D, Dublanchet, A.C, O'Gara, M. | | Deposit date: | 2003-12-12 | | Release date: | 2004-12-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structures of Novel Non-Peptidic, Non-Zinc Chelating Inhibitors Bound to Mmp-12
J.Mol.Biol., 341, 2004
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1UTT
 | | Crystal Structure of MMP-12 complexed to 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl-4-(4-ethoxy[1,1-biphenyl]-4-yl)-4-oxobutanoic acid | | Descriptor: | 2-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL) ETHYL-4-(4'-ETHOXY [1,1'-BIPHENYL]-4-YL)-4-OXOBUTANOIC ACID, ACETOHYDROXAMIC ACID, CALCIUM ION, ... | | Authors: | Morales, R, Perrier, S, Florent, J.M, Beltra, J, Dufour, S, De Mendez, I, Manceau, P, Tertre, A, Moreau, F, Compere, D, Dublanchet, A.C, O'Gara, M. | | Deposit date: | 2003-12-10 | | Release date: | 2004-12-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of novel non-peptidic, non-zinc chelating inhibitors bound to MMP-12.
J. Mol. Biol., 341, 2004
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3Q0S
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2Q6G
 | | Crystal structure of SARS-CoV main protease H41A mutant in complex with an N-terminal substrate | | Descriptor: | Polypeptide chain, severe acute respiratory syndrome coronavirus (SARS-CoV) | | Authors: | Xue, X.Y, Yang, H.T, Xue, F, Bartlam, M, Rao, Z.H. | | Deposit date: | 2007-06-05 | | Release date: | 2008-02-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of two coronavirus main proteases: implications for substrate binding and antiviral drug design.
J.Virol., 82, 2008
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2QC3
 | | Crystal structure of MCAT from Mycobacterium tuberculosis | | Descriptor: | ACETIC ACID, Malonyl CoA-acyl carrier protein transacylase | | Authors: | Li, Z, Huang, Y, Ge, J, Bartlam, M, Wang, H, Rao, Z. | | Deposit date: | 2007-06-19 | | Release date: | 2007-08-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Crystal Structure of MCAT from Mycobacterium tuberculosis Reveals Three New Catalytic Models.
J.Mol.Biol., 371, 2007
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2QEJ
 | | Crystal structure of a Staphylococcus aureus protein (SSL7) in complex with Fc of human IgA1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | Authors: | Ramsland, P.A, Willoughby, N, Trist, H.M, Farrugia, W, Hogarth, P.M, Fraser, J.D, Wines, B.D. | | Deposit date: | 2007-06-26 | | Release date: | 2007-09-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for evasion of IgA immunity by Staphylococcus aureus revealed in the complex of SSL7 with Fc of human IgA1
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2QH1
 | | Structure of TA289, a CBS-rubredoxin-like protein, in its Fe+2-bound state | | Descriptor: | FE (II) ION, Hypothetical protein Ta0289 | | Authors: | Singer, A.U, Proudfoot, M, Brown, G, Xu, L, Savchenko, A, Yakunin, A.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-06-29 | | Release date: | 2008-02-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Biochemical and structural characterization of a novel family of cystathionine beta-synthase domain proteins fused to a Zn ribbon-like domain.
J.Mol.Biol., 375, 2008
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2QZ5
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7ORS
 | | Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ147 | | Descriptor: | (4~{S})-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]oxepane-4-carboxamide, 14-3-3 protein sigma, CHLORIDE ION, ... | | Authors: | Centorrino, F, Wu, Q, Ottmann, C. | | Deposit date: | 2021-06-06 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A crystallography-based study of fragment extensions
into the 14-3-3 binding groove
To Be Published
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5X3O
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7ORG
 | | Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ162 | | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, Cyclin-dependent kinase inhibitor 1B, ... | | Authors: | Centorrino, F, Wu, Q, Ottmann, C. | | Deposit date: | 2021-06-05 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A crystallography-based study of fragment extensions
into the 14-3-3 binding groove
To Be Published
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