4EKF
 
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2TPR
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8G83
 | | Structure of NAD+ consuming protein Acinetobacter baumannii TIR domain | | Descriptor: | NAD(+) hydrolase AbTIR | | Authors: | Klontz, E.H, Wang, Y, Glendening, G, Carr, J, Tsibouris, T, Buddula, S, Nallar, S, Soares, A, Snyder, G.A. | | Deposit date: | 2023-02-17 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | The structure of NAD + consuming protein Acinetobacter baumannii TIR domain shows unique kinetics and conformations.
J.Biol.Chem., 299, 2023
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1NFD
 | | AN ALPHA-BETA T CELL RECEPTOR (TCR) HETERODIMER IN COMPLEX WITH AN ANTI-TCR FAB FRAGMENT DERIVED FROM A MITOGENIC ANTIBODY | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, H57 FAB, N15 ALPHA-BETA T-CELL RECEPTOR | | Authors: | Wang, J.-H, Lim, K, Smolyar, A, Teng, M.-K, Sacchittini, J, Reinherz, E.L. | | Deposit date: | 1997-08-04 | | Release date: | 1998-01-28 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Atomic structure of an alphabeta T cell receptor (TCR) heterodimer in complex with an anti-TCR fab fragment derived from a mitogenic antibody.
EMBO J., 17, 1998
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1SCM
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1I6M
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1I6K
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1I6L
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3JTD
 | | Calcium-free Scallop Myosin Regulatory Domain with ELC-D19A Point Mutation | | Descriptor: | MAGNESIUM ION, Myosin essential light chain, striated adductor muscle, ... | | Authors: | Himmel, D.M, Mui, S, O'Neall-Hennessey, E, Szent-Gyorgyi, A, Cohen, C. | | Deposit date: | 2009-09-11 | | Release date: | 2009-12-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | The on-off switch in regulated myosins: different triggers but related mechanisms.
J.Mol.Biol., 394, 2009
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3JVT
 | | Calcium-bound Scallop Myosin Regulatory Domain (Lever Arm) with Reconstituted Complete Light Chains | | Descriptor: | CALCIUM ION, MAGNESIUM ION, Myosin essential light chain, ... | | Authors: | Himmel, D.M, Mui, S, O'Neall-Hennessey, E, Szent-Gyorgyi, A, Cohen, C. | | Deposit date: | 2009-09-17 | | Release date: | 2009-12-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The on-off switch in regulated myosins: different triggers but related mechanisms.
J.Mol.Biol., 394, 2009
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1EH4
 | | BINARY COMPLEX OF CASEIN KINASE-1 FROM S. POMBE WITH AN ATP COMPETITIVE INHIBITOR, IC261 | | Descriptor: | 3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-INDOLIN-2-ONE, CASEIN KINASE-1, SULFATE ION | | Authors: | Mashhoon, N, Demaggio, A.J, Tereshko, V, Bergmeier, S.C, Egli, M, Hoekstra, M.F, Kuret, J. | | Deposit date: | 2000-02-18 | | Release date: | 2001-09-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of a Conformation-Selective Casein Kinase-1 Inhibitor
J.Biol.Chem., 275, 2000
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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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1BA7
 | | SOYBEAN TRYPSIN INHIBITOR | | Descriptor: | TRYPSIN INHIBITOR (KUNITZ) | | Authors: | De Meester, P, Brick, P, Lloyd, L.F, Blow, D.M, Onesti, S. | | Deposit date: | 1998-04-22 | | Release date: | 1998-06-17 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the Kunitz-type soybean trypsin inhibitor (STI): implication for the interactions between members of the STI family and tissue-plasminogen activator.
Acta Crystallogr.,Sect.D, 54, 1998
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1BTP
 | | UNIQUE BINDING OF A NOVEL SYNTHETIC INHIBITOR, N-[3-[4-[4-(AMIDINOPHENOXY)-CARBONYL]PHENYL]-2-METHYL-2-PROPENOYL]-N-ALLYLGLYCINE METHANESULFONATE TO BOVINE TRYPSIN, REVEALED BY THE CRYSTAL STRUCTURE OF THE COMPLEX | | Descriptor: | BETA-TRYPSIN, CALCIUM ION | | Authors: | Odagaki, Y, Nakai, H, Senokuchi, K, Kawamura, M, Hamanaka, N, Nakamura, M, Tomoo, K, Ishida, T. | | Deposit date: | 1995-08-11 | | Release date: | 1996-01-29 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Unique binding of a novel synthetic inhibitor, N-[3-[4-[4-(amidinophenoxy)carbonyl]phenyl]-2-methyl-2-propenoyl]- N-allylglycine methanesulfonate, to bovine trypsin, revealed by the crystal structure of the complex.
Biochemistry, 34, 1995
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1C5G
 | | PLASMINOGEN ACTIVATOR INHIBITOR-1 | | Descriptor: | PLASMINOGEN ACTIVATOR INHIBITOR-1 | | Authors: | Goldsmith, E.J. | | Deposit date: | 1999-12-07 | | Release date: | 1999-12-17 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Engineering of plasminogen activator inhibitor-1 to reduce the rate of latency transition.
Nat.Struct.Biol., 2, 1995
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1BCS
 | | COMPLEX OF THE WHEAT SERINE CARBOXYPEPTIDASE, CPDW-II, WITH THE MICROBIAL PEPTIDE ALDEHYDE INHIBITOR, CHYMOSTATIN, AND ARGININE AT 100 DEGREES KELVIN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Bullock, T.L, Remington, S.J. | | Deposit date: | 1995-11-03 | | Release date: | 1996-03-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Peptide aldehyde complexes with wheat serine carboxypeptidase II: implications for the catalytic mechanism and substrate specificity.
J.Mol.Biol., 255, 1996
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1BCR
 | | COMPLEX OF THE WHEAT SERINE CARBOXYPEPTIDASE, CPDW-II, WITH THE MICROBIAL PEPTIDE ALDEHYDE INHIBITOR, ANTIPAIN, AND ARGININE AT ROOM TEMPERATURE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIPAIN, ... | | Authors: | Bullock, T.L, Remington, S.J. | | Deposit date: | 1995-11-03 | | Release date: | 1996-03-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Peptide aldehyde complexes with wheat serine carboxypeptidase II: implications for the catalytic mechanism and substrate specificity.
J.Mol.Biol., 255, 1996
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1AYL
 | | PHOSPHOENOLPYRUVATE CARBOXYKINASE | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, OXALATE ION, ... | | Authors: | Tari, L.W, Pugazenthi, U, Goldie, H, Delbaere, L.T.J. | | Deposit date: | 1995-12-07 | | Release date: | 1997-01-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Snapshot of an enzyme reaction intermediate in the structure of the ATP-Mg2+-oxalate ternary complex of Escherichia coli PEP carboxykinase.
Nat.Struct.Biol., 3, 1996
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1BPN
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1BPM
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7JYC
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Narlaprevir | | Descriptor: | (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | | Authors: | Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2020-08-30 | | Release date: | 2020-09-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
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7K3T
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) at 1.2 A Resolution and a Possible Capture of Zinc Binding Intermediate | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | | Authors: | Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2020-09-13 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
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7K6D
 | | SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.48 A Resolution (Cryo-protected) | | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2020-09-19 | | Release date: | 2020-09-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
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7K40
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Boceprevir at 1.35 A Resolution | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, boceprevir (bound form) | | Authors: | Kumaran, D, Andi, B, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2020-09-14 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
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7K6E
 | | SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.63 A Resolution (Direct Vitrification) | | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2020-09-19 | | Release date: | 2020-09-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
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