1A01
 
 | | HEMOGLOBIN (VAL BETA1 MET, TRP BETA37 ALA) MUTANT | | Descriptor: | HEMOGLOBIN (ALPHA CHAIN), HEMOGLOBIN (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kavanaugh, J.S, Arnone, A. | | Deposit date: | 1997-12-08 | | Release date: | 1998-03-18 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High-resolution crystal structures of human hemoglobin with mutations at tryptophan 37beta: structural basis for a high-affinity T-state,.
Biochemistry, 37, 1998
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1A61
 | | THROMBIN COMPLEXED WITH A BETA-MIMETIC THIAZOLE-CONTAINING INHIBITOR | | Descriptor: | (1S,7S)-7-amino-7-benzyl-N-{(1S)-4-carbamimidamido-1-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ... | | Authors: | St Charles, R, Matthews, J.H, Zhang, E, Tulinsky, A, Kahn, M. | | Deposit date: | 1998-03-05 | | Release date: | 1998-06-17 | | Last modified: | 2012-12-12 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin.
J.Med.Chem., 42, 1999
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1A46
 | | THROMBIN COMPLEXED WITH HIRUGEN AND A BETA-STRAND MIMETIC INHIBITOR | | Descriptor: | (1S,7S)-7-amino-N-[(2R,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ... | | Authors: | St Charles, R, Matthews, J.H, Zhang, E, Tulinsky, A, Kahn, M. | | Deposit date: | 1998-02-11 | | Release date: | 1998-05-27 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin.
J.Med.Chem., 42, 1999
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1A4Q
 | | INFLUENZA VIRUS B/BEIJING/1/87 NEURAMINIDASE COMPLEXED WITH DIHYDROPYRAN-PHENETHYL-PROPYL-CARBOXAMIDE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-ACETYLAMINO-4-AMINO-6-(PHENETHYL-PROPYL-CARBAMOYL)-5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID, CALCIUM ION, ... | | Authors: | Cleasby, A, Singh, O, Skarzynski, T, Wonacott, A.J. | | Deposit date: | 1998-01-30 | | Release date: | 1999-03-02 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Dihydropyrancarboxamides related to zanamivir: a new series of inhibitors of influenza virus sialidases. 2. Crystallographic and molecular modeling study of complexes of 4-amino-4H-pyran-6-carboxamides and sialidase from influenza virus types A and B.
J.Med.Chem., 41, 1998
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1A4W
 | | CRYSTAL STRUCTURES OF THROMBIN WITH THIAZOLE-CONTAINING INHIBITORS: PROBES OF THE S1' BINDING SITE | | Descriptor: | ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUGEN, ... | | Authors: | Matthews, J.H, Krishnan, R, Costanzo, M.J, Maryanoff, B.E, Tulinsky, A. | | Deposit date: | 1998-02-06 | | Release date: | 1998-04-29 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of thrombin with thiazole-containing inhibitors: probes of the S1' binding site.
Biophys.J., 71, 1996
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1ADY
 | | HISTIDYL-TRNA SYNTHETASE IN COMPLEX WITH HISTIDYL-ADENYLATE | | Descriptor: | HISTIDYL-ADENOSINE MONOPHOSPHATE, HISTIDYL-TRNA SYNTHETASE, SULFATE ION | | Authors: | Cusack, S, Aberg, A. | | Deposit date: | 1997-02-19 | | Release date: | 1997-08-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure analysis of the activation of histidine by Thermus thermophilus histidyl-tRNA synthetase.
Biochemistry, 36, 1997
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1AXL
 | | SOLUTION CONFORMATION OF THE (-)-TRANS-ANTI-[BP]DG ADDUCT OPPOSITE A DELETION SITE IN DNA DUPLEX D(CCATC-[BP]G-CTACC)D(GGTAG--GATGG), NMR, 6 STRUCTURES | | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, DNA DUPLEX D(CCATC-[BP]G-CTACC)D(GGTAG--GATGG) | | Authors: | Feng, B, Gorin, A.A, Kolbanovskiy, A, Hingerty, B.E, Geacintov, N.E, Broyde, S, Patel, D.J. | | Deposit date: | 1997-10-16 | | Release date: | 1998-07-01 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | Solution conformation of the (-)-trans-anti-[BP]dG adduct opposite a deletion site in a DNA duplex: intercalation of the covalently attached benzo[a]pyrene into the helix with base displacement of the modified deoxyguanosine into the minor groove.
Biochemistry, 36, 1997
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1AQ2
 | | PHOSPHOENOLPYRUVATE CARBOXYKINASE | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MANGANESE (II) ION, ... | | Authors: | Tari, L.W, Matte, A, Goldie, H, Delbaere, L.T.J. | | Deposit date: | 1997-08-05 | | Release date: | 1998-10-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mg(2+)-Mn2+ clusters in enzyme-catalyzed phosphoryl-transfer reactions.
Nat.Struct.Biol., 4, 1997
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1AWH
 | | NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT | | Descriptor: | 3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14-TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID, ALPHA THROMBIN | | Authors: | Jhoti, H, Cleasby, A, Wonacott, A. | | Deposit date: | 1997-10-02 | | Release date: | 1998-10-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Novel natural product 5,5-trans-lactone inhibitors of human alpha-thrombin: mechanism of action and structural studies.
Biochemistry, 37, 1998
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1BGP
 | | CRYSTAL STRUCTURE OF BARLEY GRAIN PEROXIDASE 1 | | Descriptor: | BARLEY GRAIN PEROXIDASE, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Henriksen, A. | | Deposit date: | 1997-07-24 | | Release date: | 1997-11-12 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of barley grain peroxidase refined at 1.9-A resolution. A plant peroxidase reversibly inactivated at neutral pH.
J.Biol.Chem., 273, 1998
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1BII
 | | THE CRYSTAL STRUCTURE OF H-2DD MHC CLASS I IN COMPLEX WITH THE HIV-1 DERIVED PEPTIDE P18-110 | | Descriptor: | BETA-2 MICROGLOBULIN, DECAMERIC PEPTIDE, MHC CLASS I H-2DD | | Authors: | Achour, A, Persson, K, Harris, R.A, Sundback, J, Sentman, C.L, Lindqvist, Y, Schneider, G, Karre, K. | | Deposit date: | 1998-06-11 | | Release date: | 1998-10-14 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The crystal structure of H-2Dd MHC class I complexed with the HIV-1-derived peptide P18-I10 at 2.4 A resolution: implications for T cell and NK cell recognition.
Immunity, 9, 1998
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1BS5
 | | PEPTIDE DEFORMYLASE AS ZN2+ CONTAINING FORM | | Descriptor: | PROTEIN (PEPTIDE DEFORMYLASE), SULFATE ION, ZINC ION | | Authors: | Becker, A, Schlichting, I, Kabsch, W, Groche, D, Schultz, S, Wagner, A.F.V. | | Deposit date: | 1998-09-01 | | Release date: | 1999-08-27 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Iron center, substrate recognition and mechanism of peptide deformylase.
Nat.Struct.Biol., 5, 1998
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8TCG
 | | Integrin alpha-v beta-6 in complex with minibinder B6_BP_dslf | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-V heavy chain, ... | | Authors: | Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D. | | Deposit date: | 2023-06-30 | | Release date: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
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8TCF
 | | Integrin alpha-v beta-8 in complex with minibinder B8_BP_dsulf | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D. | | Deposit date: | 2023-06-30 | | Release date: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
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1BS8
 | | PEPTIDE DEFORMYLASE AS ZN2+ CONTAINING FORM IN COMPLEX WITH TRIPEPTIDE MET-ALA-SER | | Descriptor: | PROTEIN (MET-ALA-SER), PROTEIN (PEPTIDE DEFORMYLASE), SULFATE ION, ... | | Authors: | Becker, A, Schlichting, I, Kabsch, W, Groche, D, Schultz, S, Wagner, A.F.V. | | Deposit date: | 1998-09-01 | | Release date: | 1999-08-27 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Iron center, substrate recognition and mechanism of peptide deformylase.
Nat.Struct.Biol., 5, 1998
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8SZZ
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1BTH
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8WDV
 | | Photosynthetic LH1-RC complex from the purple sulfur bacterium Allochromatium vinosum purified by Ca2+-DEAE | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, Antenna complex alpha/beta subunit, ... | | Authors: | Tani, K, Kanno, R, Harada, A, Kobayashi, A, Minamino, A, Nakamura, N, Ji, X.-C, Purba, E.R, Hall, M, Yu, L.-J, Madigan, M.T, Mizoguchi, A, Iwasaki, K, Humbel, B.M, Kimura, Y, Wang-Otomo, Z.-Y. | | Deposit date: | 2023-09-16 | | Release date: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.24 Å) | | Cite: | High-resolution structure and biochemical properties of the LH1-RC photocomplex from the model purple sulfur bacterium, Allochromatium vinosum
Commun Biol, 7, 2024
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8WDU
 | | Photosynthetic LH1-RC complex from the purple sulfur bacterium Allochromatium vinosum purified by sucrose density | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, Antenna complex alpha/beta subunit, ... | | Authors: | Tani, K, Kanno, R, Harada, A, Kobayashi, A, Minamino, A, Nakamura, N, Ji, X.-C, Purba, E.R, Hall, M, Yu, L.-J, Madigan, M.T, Mizoguchi, A, Iwasaki, K, Humbel, B.M, Kimura, Y, Wang-Otomo, Z.-Y. | | Deposit date: | 2023-09-16 | | Release date: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.24 Å) | | Cite: | High-resolution structure and biochemical properties of the LH1-RC photocomplex from the model purple sulfur bacterium, Allochromatium vinosum
Commun Biol, 7, 2024
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8TDP
 | | Time-resolved SFX-XFEL crystal structure of CYP121 bound with cYY reacted with peracetic acid for 200 milliseconds | | Descriptor: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, HYDROGEN PEROXIDE, Mycocyclosin synthase, ... | | Authors: | Nguyen, R.C, Dasgupta, M, Bhowmick, A, Kern, J.F, Liu, A. | | Deposit date: | 2023-07-04 | | Release date: | 2023-11-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | In Situ Structural Observation of a Substrate- and Peroxide-Bound High-Spin Ferric-Hydroperoxo Intermediate in the P450 Enzyme CYP121.
J.Am.Chem.Soc., 145, 2023
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8TDQ
 | | SFX-XFEL structure of CYP121 cocrystallized with substrate cYY | | Descriptor: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Nguyen, R.C, Dasgupta, M, Bhowmick, A, Kern, J.F, Liu, A. | | Deposit date: | 2023-07-04 | | Release date: | 2023-11-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | In Situ Structural Observation of a Substrate- and Peroxide-Bound High-Spin Ferric-Hydroperoxo Intermediate in the P450 Enzyme CYP121.
J.Am.Chem.Soc., 145, 2023
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1BS4
 | | PEPTIDE DEFORMYLASE AS ZN2+ CONTAINING FORM (NATIVE) IN COMPLEX WITH INHIBITOR POLYETHYLENE GLYCOL | | Descriptor: | NONAETHYLENE GLYCOL, PROTEIN (PEPTIDE DEFORMYLASE), SULFATE ION, ... | | Authors: | Becker, A, Schlichting, I, Kabsch, W, Groche, D, Schultz, S, Wagner, A.F.V. | | Deposit date: | 1998-09-01 | | Release date: | 1999-08-27 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Iron center, substrate recognition and mechanism of peptide deformylase.
Nat.Struct.Biol., 5, 1998
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1BS6
 | | PEPTIDE DEFORMYLASE AS NI2+ CONTAINING FORM IN COMPLEX WITH TRIPEPTIDE MET-ALA-SER | | Descriptor: | NICKEL (II) ION, PROTEIN (MET-ALA-SER), PROTEIN (PEPTIDE DEFORMYLASE), ... | | Authors: | Becker, A, Schlichting, I, Kabsch, W, Groche, D, Schultz, S, Wagner, A.F.V. | | Deposit date: | 1998-09-01 | | Release date: | 1999-08-27 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Iron center, substrate recognition and mechanism of peptide deformylase.
Nat.Struct.Biol., 5, 1998
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1BSZ
 | | PEPTIDE DEFORMYLASE AS FE2+ CONTAINING FORM (NATIVE) IN COMPLEX WITH INHIBITOR POLYETHYLENE GLYCOL | | Descriptor: | FE (III) ION, NONAETHYLENE GLYCOL, PROTEIN (PEPTIDE DEFORMYLASE), ... | | Authors: | Becker, A, Schlichting, I, Kabsch, W, Groche, D, Schultz, S, Wagner, A.F.V. | | Deposit date: | 1998-09-01 | | Release date: | 1999-08-26 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Iron center, substrate recognition and mechanism of peptide deformylase.
Nat.Struct.Biol., 5, 1998
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1C3J
 | | T4 PHAGE BETA-GLUCOSYLTRANSFERASE: SUBSTRATE BINDING AND PROPOSED CATALYTIC MECHANISM | | Descriptor: | BETA-GLUCOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE | | Authors: | Morera, S, Imberty, A, Aschke-Sonnenborn, U, Ruger, W, Freemont, P.S. | | Deposit date: | 1999-07-28 | | Release date: | 1999-08-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | T4 phage beta-glucosyltransferase: substrate binding and proposed catalytic mechanism.
J.Mol.Biol., 292, 1999
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