2TGP
 
 | | THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS | | Descriptor: | CALCIUM ION, SULFATE ION, TRYPSIN INHIBITOR, ... | | Authors: | Huber, R, Bode, W, Deisenhofer, J, Schwager, P. | | Deposit date: | 1982-09-27 | | Release date: | 1983-01-18 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and its Complexes with Inhibitors
Acta Crystallogr.,Sect.B, 39, 1983
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2OVO
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8C77
 | | Human cathepsin L after reaction with the thiocarbazate inhibitor CID 16725315 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Cathepsin L, ... | | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | Deposit date: | 2023-01-12 | | Release date: | 2023-01-25 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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1TXE
 | | Solution structure of the active-centre mutant Ile14Ala of the histidine-containing phosphocarrier protein (HPr) from Staphylococcus carnosus | | Descriptor: | Phosphocarrier protein HPr | | Authors: | Moeglich, A, Koch, B, Hengstenberg, W, Brunner, E, Kalbitzer, H.R, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2004-07-04 | | Release date: | 2005-03-08 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the active-centre mutant I14A of the histidine-containing phosphocarrier protein from Staphylococcus carnosus
Eur.J.Biochem., 271, 2004
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2ANK
 | | orally active thrombin inhibitors in complex with thrombin and an exosite decapeptide | | Descriptor: | N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)METHYL]PYRIDIN-3-YL}METHYL)AMINO]CARBONYL}CYCLOPENTYL)AMINO]-1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]GLYCINE, Thrombin heavy chain, Thrombin light chain, ... | | Authors: | Lange, U.E.W, Baucke, D, Hornberger, W, Mack, H, Seitz, W, Hoeffken, H.W. | | Deposit date: | 2005-08-11 | | Release date: | 2006-11-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety
BIOORG.MED.CHEM.LETT., 16, 2006
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2A4K
 | | 3-Oxoacyl-[acyl carrier protein] reductase from Thermus thermophilus TT0137 | | Descriptor: | 3-oxoacyl-[acyl carrier protein] reductase, UNKNOWN ATOM OR ION | | Authors: | Zhou, W, Ebihara, A, Tempel, W, Yokoyama, S, Chen, L, Kuramitsu, S, Nguyen, J, Chang, S.-H, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG), RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-06-29 | | Release date: | 2006-01-10 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | 3-Oxoacyl-[acyl carrier protein] reductase from Thermus thermophilus TT0137
To be Published
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2ADZ
 | | solution structure of the joined PH domain of alpha1-syntrophin | | Descriptor: | Alpha-1-syntrophin | | Authors: | Yan, J, Wen, W, Xu, W, Long, J.F, Adams, M.E, Froehner, S.C, Zhang, M. | | Deposit date: | 2005-07-21 | | Release date: | 2006-01-24 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structure of the split PH domain and distinct lipid-binding properties of the PH-PDZ supramodule of alpha-syntrophin
Embo J., 24, 2005
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1TGC
 | | ON THE DISORDERED ACTIVATION DOMAIN IN TRYPSINOGEN. CHEMICAL LABELLING AND LOW-TEMPERATURE CRYSTALLOGRAPHY | | Descriptor: | CALCIUM ION, TRYPSINOGEN | | Authors: | Walter, J, Steigemann, W, Singh, T.P, Bartunik, H, Bode, W, Huber, R. | | Deposit date: | 1981-10-26 | | Release date: | 1982-03-04 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography
Acta Crystallogr.,Sect.B, 38, 1982
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2FJ1
 | | Crystal Structure Analysis of Tet Repressor (class D) in Complex with 7-Chlortetracycline-Nickel(II) | | Descriptor: | 7-CHLOROTETRACYCLINE, CHLORIDE ION, NICKEL (II) ION, ... | | Authors: | Orth, P, Saenger, W, Palm, G.J, Hinrichs, W. | | Deposit date: | 2005-12-30 | | Release date: | 2007-01-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Specific binding of divalent metal ions to tetracycline and to the Tet repressor/tetracycline complex.
J.Biol.Inorg.Chem., 13, 2008
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2ANM
 | | Ternary complex of an orally active thrombin inhibitor with human thrombin and a c-terminal hirudin derived exo-sit inhibitor | | Descriptor: | 2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN-3-YL)METHYLCARBAMOYL)-2H-PYRROL-1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN-2-YLAMINO)ACETIC ACID, thrombin | | Authors: | Lange, U.E.W, Baucke, D, Hornberger, W, Mack, H, Seitz, W, Hoeffken, H.W. | | Deposit date: | 2005-08-11 | | Release date: | 2006-06-13 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety
Bioorg.Med.Chem.Lett., 16, 2006
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1TGT
 | | ON THE DISORDERED ACTIVATION DOMAIN IN TRYPSINOGEN. CHEMICAL LABELLING AND LOW-TEMPERATURE CRYSTALLOGRAPHY | | Descriptor: | CALCIUM ION, METHANOL, TRYPSINOGEN | | Authors: | Walter, J, Steigemann, W, Singh, T.P, Bartunik, H, Bode, W, Huber, R. | | Deposit date: | 1981-10-26 | | Release date: | 1982-03-04 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography
Acta Crystallogr.,Sect.B, 38, 1982
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1A1R
 | | HCV NS3 PROTEASE DOMAIN:NS4A PEPTIDE COMPLEX | | Descriptor: | NS3 PROTEIN, NS4A PROTEIN, ZINC ION | | Authors: | Kim, J.L, Morgenstern, K.A, Lin, C, Fox, T, Dwyer, M.D, Landro, J.A, Chambers, S.P, Markland, W, Lepre, C.A, O'Malley, E.T, Harbeson, S.L, Rice, C.M, Murcko, M.A, Caron, P.R, Thomson, J.A. | | Deposit date: | 1997-12-15 | | Release date: | 1998-06-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the hepatitis C virus NS3 protease domain complexed with a synthetic NS4A cofactor peptide.
Cell(Cambridge,Mass.), 87, 1996
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1AGL
 | | STRUCTURE OF A DNA-BISDAUNOMYCIN COMPLEX | | Descriptor: | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN], DNA (5'-D(*CP*GP*AP*TP*CP*G)-3') | | Authors: | Hu, G.G, Shui, X, Leng, F, Priebe, W, Chaires, J.B, Williams, L.D. | | Deposit date: | 1997-03-25 | | Release date: | 1997-04-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of a DNA-bisdaunomycin complex.
Biochemistry, 36, 1997
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1A6B
 | | NMR STRUCTURE OF THE COMPLEX BETWEEN THE ZINC FINGER PROTEIN NCP10 OF MOLONEY MURINE LEUKEMIA VIRUS AND A SEQUENCE OF THE PSI-PACKAGING DOMAIN OF HIV-1, 20 STRUCTURES | | Descriptor: | DNA (5'-D(*AP*CP*GP*CP*C)-3'), ZINC FINGER PROTEIN NCP10, ZINC ION | | Authors: | Schueler, W, Dong, C.-Z, Wecker, K, Roques, B.P. | | Deposit date: | 1998-02-23 | | Release date: | 1999-08-23 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR structure of the complex between the zinc finger protein NCp10 of Moloney murine leukemia virus and the single-stranded pentanucleotide d(ACGCC): comparison with HIV-NCp7 complexes.
Biochemistry, 38, 1999
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2X9D
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1AZW
 | | PROLINE IMINOPEPTIDASE FROM XANTHOMONAS CAMPESTRIS PV. CITRI | | Descriptor: | PROLINE IMINOPEPTIDASE | | Authors: | Medrano, F.J, Alonso, J, Garcia, J.L, Romero, A, Bode, W, Gomis-Ruth, F.X. | | Deposit date: | 1997-11-22 | | Release date: | 1999-01-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of proline iminopeptidase from Xanthomonas campestris pv. citri: a prototype for the prolyl oligopeptidase family.
EMBO J., 17, 1998
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1B1A
 | | GLUTAMATE MUTASE (B12-BINDING SUBUNIT), NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | GLUTAMATE MUTASE | | Authors: | Hoffmann, B, Konrat, R, Bothe, H, Buckel, W, Kraeutler, B. | | Deposit date: | 1998-11-19 | | Release date: | 1999-07-13 | | Last modified: | 2024-04-10 | | Method: | SOLUTION NMR | | Cite: | Structure and dynamics of the B12-binding subunit of glutamate mutase from Clostridium cochlearium.
Eur.J.Biochem., 263, 1999
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1AU1
 | | HUMAN INTERFERON-BETA CRYSTAL STRUCTURE | | Descriptor: | INTERFERON-BETA, ZINC ION, alpha-D-quinovopyranose-(1-6)-beta-D-glucopyranose, ... | | Authors: | Karpusas, M, Nolte, M, Lipscomb, W. | | Deposit date: | 1997-09-09 | | Release date: | 1998-06-17 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structure of human interferon beta at 2.2-A resolution.
Proc.Natl.Acad.Sci.USA, 94, 1997
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1B85
 | | LIGNIN PEROXIDASE | | Descriptor: | CALCIUM ION, Ligninase H8, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Blodig, W, Doyle, W.A, Smith, A.T, Piontek, K. | | Deposit date: | 1999-02-05 | | Release date: | 1999-02-16 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structures of pristine and oxidatively processed lignin peroxidase expressed in Escherichia coli and of the W171F variant that eliminates the redox active tryptophan 171. Implications for the reaction mechanism.
J.Mol.Biol., 305, 2001
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168D
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2XPW
 | | TetR(D) in complex with oxytetracycline and magnesium. | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Dalm, D, Proft, J, Palm, G.J, Hinrichs, W. | | Deposit date: | 2010-08-30 | | Release date: | 2011-09-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Tetr(D) in Complex with Oxytetracycline.
To be Published
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1IAB
 | | CRYSTAL STRUCTURES, SPECTROSCOPIC FEATURES, AND CATALYTIC PROPERTIES OF COBALT(II), COPPER(II), NICKEL(II), AND MERCURY(II) DERIVATIVES OF THE ZINC ENDOPEPTIDASE ASTACIN. A CORRELATION OF STRUCTURE AND PROTEOLYTIC ACTIVITY | | Descriptor: | ASTACIN, COBALT (II) ION | | Authors: | Gomis-Rueth, F.-X, Stoecker, W, Bode, W. | | Deposit date: | 1994-05-09 | | Release date: | 1994-08-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Crystal structures, spectroscopic features, and catalytic properties of cobalt(II), copper(II), nickel(II), and mercury(II) derivatives of the zinc endopeptidase astacin. A correlation of structure and proteolytic activity.
J.Biol.Chem., 269, 1994
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6RNT
 | | CRYSTAL STRUCTURE OF RIBONUCLEASE T1 COMPLEXED WITH ADENOSINE 2'-MONOPHOSPHATE AT 1.8-ANGSTROMS RESOLUTION | | Descriptor: | ADENOSINE-2'-MONOPHOSPHATE, CALCIUM ION, RIBONUCLEASE T1 | | Authors: | Ding, J, Koellner, G, Grunert, H.-P, Saenger, W. | | Deposit date: | 1991-08-20 | | Release date: | 1993-01-15 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of ribonuclease T1 complexed with adenosine 2'-monophosphate at 1.8-A resolution.
J.Biol.Chem., 266, 1991
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1B64
 | | SOLUTION STRUCTURE OF THE GUANINE NUCLEOTIDE EXCHANGE FACTOR DOMAIN FROM HUMAN ELONGATION FACTOR-ONE BETA, NMR, 20 STRUCTURES | | Descriptor: | ELONGATION FACTOR 1-BETA | | Authors: | Perez, J.M.J, Siegal, G, Kriek, J, Hard, K, Dijk, J, Canters, G.W, Moller, W. | | Deposit date: | 1999-01-20 | | Release date: | 1999-05-18 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The solution structure of the guanine nucleotide exchange domain of human elongation factor 1beta reveals a striking resemblance to that of EF-Ts from Escherichia coli.
Structure Fold.Des., 7, 1999
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1B8O
 | | PURINE NUCLEOSIDE PHOSPHORYLASE | | Descriptor: | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Fedorov, A.A, Kicska, G.A, Fedorov, E.V, Shi, W, Tyler, P.C, Furneaux, R.H, Schramm, V.L, Almo, S.C. | | Deposit date: | 1999-02-02 | | Release date: | 1999-02-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Transition state structure of purine nucleoside phosphorylase and principles of atomic motion in enzymatic catalysis.
Biochemistry, 40, 2001
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