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1CTI
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BU of 1cti by Molmil
DETERMINATION OF THE COMPLETE THREE-DIMENSIONAL STRUCTURE OF THE TRYPSIN INHIBITOR FROM SQUASH SEEDS IN AQUEOUS SOLUTION BY NUCLEAR MAGNETIC RESONANCE AND A COMBINATION OF DISTANCE GEOMETRY AND DYNAMICAL SIMULATED ANNEALING
Descriptor: TRYPSIN INHIBITOR
Authors:Holak, T.A, Gondol, D, Otlewski, J, Wilusz, T.
Deposit date:1990-08-28
Release date:1992-01-15
Last modified:2024-11-20
Method:SOLUTION NMR
Cite:Determination of the complete three-dimensional structure of the trypsin inhibitor from squash seeds in aqueous solution by nuclear magnetic resonance and a combination of distance geometry and dynamical simulated annealing.
J.Mol.Biol., 210, 1989
1CE5
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BU of 1ce5 by Molmil
BOVINE PANCREAS BETA-TRYPSIN IN COMPLEX WITH BENZAMIDINE
Descriptor: BENZAMIDINE, CALCIUM ION, CHLORIDE ION, ...
Authors:Ota, N, Stroupe, C, Ferreira-Da-Silva, J.M.S, Shah, S.S, Mares-Guia, M, Brunger, A.T.
Deposit date:1999-03-16
Release date:1999-03-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Non-Boltzmann thermodynamic integration (NBTI) for macromolecular systems: relative free energy of binding of trypsin to benzamidine and benzylamine.
Proteins, 37, 1999
6ATR
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BU of 6atr by Molmil
Crystal structure of hGSTA1-1 complexed with two GSH analogues in each subunit
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-2-NITROSOSULFANYL-ETHYL]AMINO-5-OXO-PENTANOATE, Glutathione S-transferase A1, ...
Authors:Kumari, V, Ji, X.
Deposit date:2017-08-29
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:hGSTA1 apo structure and dynamic c-terminus helix
To be published
6ATP
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BU of 6atp by Molmil
Crystal structure of apo-hGSTA1-1 exhibiting a new conformation of C-terminal helix
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Glutathione S-transferase A1
Authors:Kumari, V, Ji, X.
Deposit date:2017-08-29
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The dynamic nature of hGSTA1-1 C-terminal helix
To be published
6ATQ
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BU of 6atq by Molmil
Crystal structure of apo-hGSTA1-1 exhibiting a new conformation of C-terminal helix
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Glutathione S-transferase A1
Authors:Kumari, V, Ji, X.
Deposit date:2017-08-29
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:The dynamic nature of hGSTA1-1 C-terminal helix
To be published
6ATO
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BU of 6ato by Molmil
Crystal structure of hGSTA1-1 complexed with GSH and MPD in each subunit
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GLUTATHIONE, Glutathione S-transferase A1
Authors:Kumari, V, Ji, X.
Deposit date:2017-08-29
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The dynamic nature of hGSTA1-1 C-terminal helix
To be published
5GSS
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BU of 5gss by Molmil
HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH GLUTATHIONE
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE P1-1
Authors:Oakley, A, Parker, M.
Deposit date:1997-08-11
Release date:1998-09-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
1FVJ
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BU of 1fvj by Molmil
THE 2.06 ANGSTROM STRUCTURE OF THE H32Y MUTANT OF THE DISULFIDE BOND FORMATION PROTEIN (DSBA)
Descriptor: DISULFIDE BOND FORMATION PROTEIN
Authors:Martin, J.L, Guddat, L.W.
Deposit date:1996-08-28
Release date:1997-05-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural analysis of three His32 mutants of DsbA: support for an electrostatic role of His32 in DsbA stability.
Protein Sci., 6, 1997
1FVK
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BU of 1fvk by Molmil
THE 1.7 ANGSTROM STRUCTURE OF WILD TYPE DISULFIDE BOND FORMATION PROTEIN (DSBA)
Descriptor: DISULFIDE BOND FORMATION PROTEIN
Authors:Martin, J.L, Guddat, L.W.
Deposit date:1996-08-28
Release date:1997-08-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural analysis of three His32 mutants of DsbA: support for an electrostatic role of His32 in DsbA stability.
Protein Sci., 6, 1997
1B1U
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BU of 1b1u by Molmil
CRYSTAL STRUCTURE OF THE BIFUNCTIONAL INHIBITOR RAGI
Descriptor: PROTEIN (ALPHA-AMYLASE/TRYPSIN INHIBITOR RATI)
Authors:Gourinath, S, Srinivasan, A, Singh, T.P.
Deposit date:1998-11-23
Release date:1998-12-02
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the bifunctional inhibitor of trypsin and alpha-amylase from ragi seeds at 2.2 A resolution.
Acta Crystallogr.,Sect.D, 56, 2000
1A2J
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BU of 1a2j by Molmil
OXIDIZED DSBA CRYSTAL FORM II
Descriptor: DISULFIDE BOND FORMATION PROTEIN
Authors:Martin, J.L, Guddat, L.W.
Deposit date:1998-01-06
Release date:1998-09-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of reduced and oxidized DsbA: investigation of domain motion and thiolate stabilization.
Structure, 6, 1998
1A2M
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BU of 1a2m by Molmil
OXIDIZED DSBA AT 2.7 ANGSTROMS RESOLUTION, CRYSTAL FORM III
Descriptor: DISULFIDE BOND FORMATION PROTEIN
Authors:Martin, J.L, Guddat, L.W.
Deposit date:1998-01-06
Release date:1998-07-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of reduced and oxidized DsbA: investigation of domain motion and thiolate stabilization.
Structure, 6, 1998
1BQ7
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BU of 1bq7 by Molmil
DSBA MUTANT P151A, ROLE OF THE CIS-PROLINE IN THE ACTIVE SITE OF DSBA
Descriptor: PROTEIN (DISULFIDE OXIDOREDUCTASE)
Authors:Charbonnier, J.-B, Stura, E.A.
Deposit date:1998-08-21
Release date:1999-08-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:On the role of the cis-proline residue in the active site of DsbA.
Protein Sci., 8, 1999
1A2L
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BU of 1a2l by Molmil
REDUCED DSBA AT 2.7 ANGSTROMS RESOLUTION
Descriptor: DISULFIDE BOND FORMATION PROTEIN
Authors:Martin, J.L, Guddat, L.W.
Deposit date:1998-01-06
Release date:1998-07-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of reduced and oxidized DsbA: investigation of domain motion and thiolate stabilization.
Structure, 6, 1998
5TO3
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BU of 5to3 by Molmil
Crystal structure of thrombin mutant W215A/E217A fused to EGF456 of thrombomodulin via a 31-residue linker and bound to PPACK
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose-(1-4)-[beta-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ...
Authors:Barranco-Medina, S, Murphy, M, Pelc, L, Chen, Z, Di Cera, E, Pozzi, N.
Deposit date:2016-10-16
Release date:2017-03-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Rational Design of Protein C Activators.
Sci Rep, 7, 2017
5JCU
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BU of 5jcu by Molmil
Crystal Structure of hGSTA1-1 with Glutathione Adduct of Phenethyl Isothiocyanate and Cystein Adduct of Phenethyl Isothiocyanate
Descriptor: 1,2-ETHANEDIOL, Glutathione S-transferase A1, L-gamma-glutamyl-S-[(2-phenylethyl)carbamothioyl]-L-cysteinylglycine
Authors:Kumari, V, Ji, X.
Deposit date:2016-04-15
Release date:2016-10-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Irreversible Inhibition of Glutathione S-Transferase by Phenethyl Isothiocyanate (PEITC), a Dietary Cancer Chemopreventive Phytochemical.
Plos One, 11, 2016
1KNG
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BU of 1kng by Molmil
Crystal structure of CcmG reducing oxidoreductase at 1.14 A
Descriptor: THIOL:DISULFIDE INTERCHANGE PROTEIN CYCY
Authors:Edeling, M.A, Guddat, L.W, Fabianek, R.A, Thony-Meyer, L, Martin, J.L.
Deposit date:2001-12-18
Release date:2002-07-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Structure of CcmG/DsbE at 1.14 A resolution: high-fidelity reducing activity in an indiscriminately oxidizing environment
Structure, 10, 2002
1ADZ
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BU of 1adz by Molmil
THE SOLUTION STRUCTURE OF THE SECOND KUNITZ DOMAIN OF TISSUE FACTOR PATHWAY INHIBITOR, NMR, 30 STRUCTURES
Descriptor: TISSUE FACTOR PATHWAY INHIBITOR
Authors:Burgering, M.J.M, Orbons, L.P.M.
Deposit date:1997-02-19
Release date:1998-02-25
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:The second Kunitz domain of human tissue factor pathway inhibitor: cloning, structure determination and interaction with factor Xa.
J.Mol.Biol., 269, 1997
1E94
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BU of 1e94 by Molmil
HslV-HslU from E.coli
Descriptor: HEAT SHOCK PROTEIN HSLU, HEAT SHOCK PROTEIN HSLV, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Song, H.K, Hartmann, C, Ravishankar, R, Bochtler, M.
Deposit date:2000-10-07
Release date:2000-11-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mutational Studies on Hslu and its Docking Mode with Hslv
Proc.Natl.Acad.Sci.USA, 97, 2000
4TPI
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BU of 4tpi by Molmil
THE REFINED 2.2-ANGSTROMS (0.22-NM) X-RAY CRYSTAL STRUCTURE OF THE TERNARY COMPLEX FORMED BY BOVINE TRYPSINOGEN, VALINE-VALINE AND THE ARG15 ANALOGUE OF BOVINE PANCREATIC TRYPSIN INHIBITOR
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR, CALCIUM ION, SULFATE ION, ...
Authors:Bode, W, Walter, J.
Deposit date:1985-06-11
Release date:1985-11-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The refined 2.2-A (0.22-nm) X-ray crystal structure of the ternary complex formed by bovine trypsinogen, valine-valine and the Arg15 analogue of bovine pancreatic trypsin inhibitor
Eur.J.Biochem., 144, 1984
1BTH
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BU of 1bth by Molmil
STRUCTURE OF THROMBIN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR, THROMBIN
Authors:Van De Locht, A, Bode, W, Stubbs, M.T.
Deposit date:1996-12-03
Release date:1997-12-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The thrombin E192Q-BPTI complex reveals gross structural rearrangements: implications for the interaction with antithrombin and thrombomodulin.
EMBO J., 16, 1997
1K21
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BU of 1k21 by Molmil
HUMAN THROMBIN-INHIBITOR COMPLEX
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, Prothrombin, ...
Authors:Stubbs, M.T, Musil, D.
Deposit date:2001-09-26
Release date:2002-05-08
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
1BDA
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BU of 1bda by Molmil
CATALYTIC DOMAIN OF HUMAN SINGLE CHAIN TISSUE PLASMINOGEN ACTIVATOR IN COMPLEX WITH DANSYL-EGR-CMK (DANSYL-GLU-GLY-ARG CHLOROMETHYL KETONE)
Descriptor: N-{[5-(dimethylamino)naphthalen-2-yl]sulfonyl}-L-alpha-glutamyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl) butyl]glycinamide, SINGLE CHAIN TISSUE TYPE PLASMINOGEN ACTIVATOR
Authors:Bode, W, Renatus, M, Engh, R.A.
Deposit date:1998-05-07
Release date:1999-05-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Lysine 156 promotes the anomalous proenzyme activity of tPA: X-ray crystal structure of single-chain human tPA.
EMBO J., 16, 1997
1A5I
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BU of 1a5i by Molmil
CATALYTIC DOMAIN OF VAMPIRE BAT (DESMODUS ROTUNDUS) SALIVA PLASMINOGEN ACTIVATOR IN COMPLEX WITH EGR-CMK (GLU-GLY-ARG CHLOROMETHYL KETONE)
Descriptor: L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide, PLASMINOGEN ACTIVATOR
Authors:Renatus, M, Stubbs, M.T, Bode, W.
Deposit date:1998-02-17
Release date:1999-03-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Catalytic domain structure of vampire bat plasminogen activator: a molecular paradigm for proteolysis without activation cleavage.
Biochemistry, 36, 1997
1C9P
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BU of 1c9p by Molmil
COMPLEX OF BDELLASTASIN WITH PORCINE TRYPSIN
Descriptor: BDELLASTASIN, CALCIUM ION, TRYPSIN
Authors:Rester, U.
Deposit date:1999-08-03
Release date:2000-08-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the complex of the antistasin-type inhibitor bdellastasin with trypsin and modelling of the bdellastasin-microplasmin system.
J.Mol.Biol., 293, 1999

238895

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