7QUW
 
 | | CVB3-3Cpro in complex with inhibitor MG-78 | | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, Protease 3C | | Authors: | Zhang, L, Hilgenfeld, R. | | Deposit date: | 2022-01-19 | | Release date: | 2022-03-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease.
Molecules, 27, 2022
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7QUB
 | | EV-A71-3Cpro in complex with inhibitor MG78 | | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, Protease 3C, SODIUM ION | | Authors: | El Kilani, H, Hilgenfeld, R. | | Deposit date: | 2022-01-17 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease.
Molecules, 27, 2022
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7QL8
 | | SARS-COV2 Main Protease in complex with inhibitor MG78 | | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION, ... | | Authors: | El Kilani, H, Hilgenfeld, R. | | Deposit date: | 2021-12-19 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.807 Å) | | Cite: | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease.
Molecules, 27, 2022
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1CAY
 | | WILD-TYPE AND E106Q MUTANT CARBONIC ANHYDRASE COMPLEXED WITH ACETATE | | Descriptor: | ACETIC ACID, CARBONIC ANHYDRASE II, ZINC ION | | Authors: | Hakansson, K, Briand, C, Zaitsev, V, Xue, Y, Liljas, A. | | Deposit date: | 1993-02-26 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Wild-type and E106Q mutant carbonic anhydrase complexed with acetate.
Acta Crystallogr.,Sect.D, 50, 1994
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1CAZ
 | | WILD-TYPE AND E106Q MUTANT CARBONIC ANHYDRASE COMPLEXED WITH ACETATE | | Descriptor: | ACETIC ACID, CARBONIC ANHYDRASE II, ZINC ION | | Authors: | Hakansson, K, Briand, C, Zaitsev, V, Xue, Y, Liljas, A. | | Deposit date: | 1993-02-26 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Wild-type and E106Q mutant carbonic anhydrase complexed with acetate.
Acta Crystallogr.,Sect.D, 50, 1994
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8DSX
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8DSB
 | | Lambda Bacteriophage Orf63 | | Descriptor: | Xis (Excision72) | | Authors: | Donaldson, L.W. | | Deposit date: | 2022-07-22 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Bad Phages in Good Bacteria: Role of the Mysterious orf63 of lambda and Shiga Toxin-Converting Phi 24 B Bacteriophages.
Front Microbiol, 8, 2017
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1CT4
 | | CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-VAL18I IN COMPLEX WITH SGPB | | Descriptor: | OVOMUCOID INHIBITOR, PROTEINASE B | | Authors: | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 1999-08-18 | | Release date: | 2000-01-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB.
Protein Sci., 9, 2000
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6GFG
 | | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with D-chiro-IP6 and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-chiro inositol hexakisphosphate, Inositol-pentakisphosphate 2-kinase, ... | | Authors: | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | | Deposit date: | 2018-04-30 | | Release date: | 2018-09-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
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6FL3
 | | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with myo-IP5 and ADP | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Inositol-pentakisphosphate 2-kinase, ... | | Authors: | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | | Deposit date: | 2018-01-25 | | Release date: | 2018-09-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
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6FJK
 | | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with myo-IP6 and ADP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ... | | Authors: | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | | Deposit date: | 2018-01-22 | | Release date: | 2018-09-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.025 Å) | | Cite: | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
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1CSO
 | | CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-ILE18I IN COMPLEX WITH SGPB | | Descriptor: | OVOMUCOID INHIBITOR, PROTEINASE B | | Authors: | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 1999-08-18 | | Release date: | 2000-01-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB.
Protein Sci., 9, 2000
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1CT2
 | | CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-THR18I IN COMPLEX WITH SGPB | | Descriptor: | OVOMUCOID INHIBITOR, PROTEINASE B | | Authors: | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N. | | Deposit date: | 1999-08-18 | | Release date: | 2000-01-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB.
Protein Sci., 9, 2000
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1CT0
 | | CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-SER18I IN COMPLEX WITH SGPB | | Descriptor: | OVOMUCOID INHIBITOR, PROTEINASE B | | Authors: | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 1999-08-18 | | Release date: | 2000-01-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB.
Protein Sci., 9, 2000
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7R7Z
 | | Crystal structure of QW9-HLA-B*5301 specific T Cell Receptor, C3 | | Descriptor: | Alpha chain of C3 TCR, Beta chain of C3 TCR, HEXAETHYLENE GLYCOL, ... | | Authors: | Li, X.L, Tan, K.M, Xu, S.T, Ng, R, Walker, B.D, Wang, J.H. | | Deposit date: | 2021-06-25 | | Release date: | 2022-06-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.286 Å) | | Cite: | Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide.
Nat Commun, 14, 2023
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7R80
 | | Crystal structure of C3 TCR complex with QW9-bound HLA-B*5301 | | Descriptor: | Alpha chain of C3 TCR, Beta Chain of C3 TCR, Beta-2-microglobulin, ... | | Authors: | Li, X.L, Tan, K.M, Walker, B.D, Wang, J.H. | | Deposit date: | 2021-06-25 | | Release date: | 2022-06-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide.
Nat Commun, 14, 2023
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8EW5
 | | The structure of flightin within myosin thick filaments from Bombus ignitus flight muscle | | Descriptor: | Flightin | | Authors: | Li, J, Rahmani, H, Abbasi Yeganeh, F, Rastegarpouyani, H, Taylor, D.W, Wood, N.B, Previs, M.J, Iwamoto, H, Taylor, K.A. | | Deposit date: | 2022-10-21 | | Release date: | 2023-01-04 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (6 Å) | | Cite: | Structure of the Flight Muscle Thick Filament from the Bumble Bee, Bombus ignitus , at 6 angstrom Resolution.
Int J Mol Sci, 24, 2022
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6GFH
 | | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with neo-IP5 and ATP | | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | | Deposit date: | 2018-04-30 | | Release date: | 2018-09-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
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6LY8
 | | V/A-ATPase from Thermus thermophilus, the soluble domain, including V1, d, two EG stalks, and N-terminal domain of a-subunit. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, V-type ATP synthase alpha chain, V-type ATP synthase beta chain, ... | | Authors: | Kishikawa, J, Nakanishi, A, Furuta, A, Kato, T, Namba, K, Tamakoshi, M, Mitsuoka, K, Yokoyama, K. | | Deposit date: | 2020-02-13 | | Release date: | 2020-09-09 | | Last modified: | 2020-09-30 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Mechanical inhibition of isolated V o from V/A-ATPase for proton conductance.
Elife, 9, 2020
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6AXR
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6B82
 | | Zebra Fish CYP-450 17A1 Mutant Abiraterone Complex | | Descriptor: | ACETATE ION, Abiraterone, CHLORIDE ION, ... | | Authors: | Pallan, P.S, Egli, M. | | Deposit date: | 2017-10-05 | | Release date: | 2017-12-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | Inherent steroid 17 alpha ,20-lyase activity in defunct cytochrome P450 17A enzymes.
J. Biol. Chem., 293, 2018
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7YAS
 | | HYDROXYNITRILE LYASE, LOW TEMPERATURE NATIVE STRUCTURE | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, PROTEIN (HYDROXYNITRILE LYASE), ... | | Authors: | Zuegg, J, Wagner, U.G, Gugganig, M, Kratky, C. | | Deposit date: | 1999-03-15 | | Release date: | 1999-10-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Three-dimensional structures of enzyme-substrate complexes of the hydroxynitrile lyase from Hevea brasiliensis.
Protein Sci., 8, 1999
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5NHT
 | | human 199.54-16 TCR in complex with Melan-A/MART-1 (26-35) peptide and HLA-A2 | | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, HLA class I histocompatibility antigen, ... | | Authors: | Exertier, C, Reiser, J.-B, Lantez, V, Chouquet, A, Bonneville, M, Saulquin, X, Housset, D. | | Deposit date: | 2017-03-22 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | human 199.54-16 TCR in complex with Melan-A/MART-1 (26-35) peptide and HLA-A2
To Be Published
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6BNX
 | | Crystal structure of V278E-glyoxalase I mutant from Zea mays in space group P6(3) | | Descriptor: | COBALT (II) ION, Lactoylglutathione lyase | | Authors: | Alvarez, C.E, Agostini, R.B, Gonzalez, J.M, Drincovich, M.F, Campos Bermudez, V.A, Klinke, S. | | Deposit date: | 2017-11-17 | | Release date: | 2018-11-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Deciphering the number and location of active sites in the monomeric glyoxalase I of Zea mays.
Febs J., 286, 2019
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3HKP
 | | Crystal structure determination of Catechol 1,2-Dioxygenase from Rhodococcus opacus 1CP in complex with protocatechuate | | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 3,4-DIHYDROXYBENZOIC ACID, Catechol 1,2-dioxygenase, ... | | Authors: | Matera, I, Ferraroni, M, Kolomytseva, M, Briganti, F, Scozzafava, A. | | Deposit date: | 2009-05-25 | | Release date: | 2010-01-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: Quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts.
J.Struct.Biol., 170, 2010
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