1DZ8
| oxygen complex of p450cam from pseudomonas putida | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CYTOCHROME P450-CAM, ... | Authors: | Schlichting, I, Berendzen, J, Chu, K, Stock, A.M, Maves, S.A, Benson, D.E, Sweet, R.M, Ringe, D, Petsko, G.A, Sligar, S.G. | Deposit date: | 2000-02-18 | Release date: | 2000-03-31 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Catalytic Pathway of Cytochrome P450Cam at Atomic Resolution Science, 287, 2000
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1DZ4
| ferric p450cam from pseudomonas putida | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CYTOCHROME P450-CAM, ... | Authors: | Schlichting, I, Berendzen, J, Chu, K, Stock, A.M, Maves, S.A, Benson, D.E, Sweet, R.M, Ringe, D, Petsko, G.A, Sligar, S.G. | Deposit date: | 2000-02-16 | Release date: | 2000-07-20 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Catalytic Pathway of Cytochrome P450Cam at Atomic Resolution Science, 287, 2000
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1DZ9
| Putative oxo complex of P450cam from Pseudomonas putida | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CYTOCHROME P450-CAM, ... | Authors: | Schlichting, I, Berendzen, J, Chu, K, Stock, A.M, Maves, S.A, Benson, D.E, Sweet, R.M, Ringe, D, Petsko, G.A, Sligar, S.G. | Deposit date: | 2000-02-18 | Release date: | 2000-03-30 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Catalytic Pathway of Cytochrome P450Cam at Atomic Resolution Science, 287, 2000
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1DZ6
| ferrous p450cam from pseudomonas putida | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CYTOCHROME P450-CAM, ... | Authors: | Schlichting, I, Berendzen, J, Chu, K, Stock, A.M, Maves, S.A, Benson, D.E, Sweet, R.M, Ringe, D, Petsko, G.A, Sligar, S.G. | Deposit date: | 2000-02-18 | Release date: | 2000-03-30 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Catalytic Pathway of Cytochrome P450Cam at Atomic Resolution Science, 287, 2000
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1DXC
| CO complex of Myoglobin Mb-YQR at 100K | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Brunori, M, Vallone, B, Cutruzzola, F, Travaglini-Allocatelli, C, Berendzen, J, Chu, K, Sweet, R.M, Schlichting, I. | Deposit date: | 2000-01-03 | Release date: | 2000-04-02 | Last modified: | 2019-11-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Role of Cavities in Protein Dynamics: Crystal Structure of a Novel Photolytic Intermediate of Myoglobin Proc.Natl.Acad.Sci.USA, 97, 2000
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7KU0
| Data clustering and dynamics of chymotrypsinogen cluster 138 (yellow) structure | Descriptor: | Chymotrypsinogen A, SULFATE ION | Authors: | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | Deposit date: | 2020-11-24 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
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7KTY
| Data clustering and dynamics of chymotrypsinogen average structure | Descriptor: | Chymotrypsinogen A, SULFATE ION | Authors: | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Shi, W, Sweet, R.M, Soares, A.S, Bernstein, H.J. | Deposit date: | 2020-11-24 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
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7KU1
| Data clustering and dynamics of chymotrypsinogen cluster 139 (green) structure | Descriptor: | Chymotrypsinogen A, SULFATE ION | Authors: | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | Deposit date: | 2020-11-24 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
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7KU2
| Data clustering and dynamics of chymotrypsinogen clulster 140 (structure) | Descriptor: | Chymotrypsinogen A, SULFATE ION | Authors: | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | Deposit date: | 2020-11-24 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.185 Å) | Cite: | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
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7KU3
| Data clustering and dynamics of chymotrypsinogen cluster 141 (cyan) structure | Descriptor: | Chymotrypsinogen A, SULFATE ION | Authors: | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | Deposit date: | 2020-11-24 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
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7KTZ
| Data clustering and dynamics of chymotrypsinogen cluster 131 (purple) structure | Descriptor: | Chymotrypsinogen A, SULFATE ION | Authors: | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | Deposit date: | 2020-11-24 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
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4TPY
| High throughput screening using acoustic droplet ejection to combine protein crystals and chemical libraries on crystallization plates at high density | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, ... | Authors: | Teplitsky, E, Joshi, K, Mullen, J.D, Soares, A.S. | Deposit date: | 2014-06-10 | Release date: | 2014-10-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | High throughput screening using acoustic droplet ejection to combine protein crystals and chemical libraries on crystallization plates at high density. J.Struct.Biol., 191, 2015
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7MNG
| Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor VBY-825 (Partial Occupancy) | Descriptor: | (2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name), 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | Deposit date: | 2021-04-30 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 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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7MRR
| Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Leupeptin | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, LEUPEPTIN | Authors: | Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | Deposit date: | 2021-05-08 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.32 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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8DCU
| Lysozyme cluster 0028 (benzamidine ligand) | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, BENZAMIDINE, CHLORIDE ION, ... | Authors: | Soares, A.S, Yamada, Y, Jakoncic, J, Schneider, D.K, Bernstein, H.J. | Deposit date: | 2022-06-17 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Serial crystallography with multi-stage merging of thousands of images. Acta Crystallogr.,Sect.F, 78, 2022
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8DCT
| Lysozyme cluster 3 dual apo structure | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, BENZAMIDINE, CHLORIDE ION, ... | Authors: | Soares, A.S, Yamada, Y, Jakoncic, J, Schneider, D.K, Bernstein, H.J. | Deposit date: | 2022-06-17 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Serial crystallography with multi-stage merging of thousands of images. Acta Crystallogr.,Sect.F, 78, 2022
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8DCW
| Lysozyme cluster 0062 (NAG and benzamidine ligands) | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, BENZAMIDINE, CHLORIDE ION, ... | Authors: | Soares, A.S, Yamada, Y, Jakoncic, J, Schneider, D.K, Bernstein, H.J. | Deposit date: | 2022-06-17 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Serial crystallography with multi-stage merging of thousands of images. Acta Crystallogr.,Sect.F, 78, 2022
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8DCV
| Lysozyme cluster 0043, NAG ligand | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, BENZAMIDINE, CHLORIDE ION, ... | Authors: | Soares, A.S, Yamada, Y, Jakoncic, J, Schneider, D.K, Bernstein, H.J. | Deposit date: | 2022-06-17 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Serial crystallography with multi-stage merging of thousands of images. Acta Crystallogr.,Sect.F, 78, 2022
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1IDD
| ISOCITRATE DEHYDROGENASE Y160F MUTANT APO ENZYME | Descriptor: | ISOCITRATE DEHYDROGENASE | Authors: | Lee, M.E, Dyer, D.H, Klein, O.D, Bolduc, J.M, Stoddard, B.L, Koshland Junior, D.E. | Deposit date: | 1995-01-18 | Release date: | 1996-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mutagenesis and Laue structures of enzyme intermediates: isocitrate dehydrogenase. Science, 268, 1995
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1VJS
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2IRT
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3RUB
| CRYSTAL STRUCTURE OF THE UNACTIVATED FORM OF RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE(SLASH)OXYGENASE FROM TOBACCO REFINED AT 2.0-ANGSTROMS RESOLUTION | Descriptor: | ASPARAGINE, RIBULOSE 1,5-BISPHOSPHATE CARBOXYLASE/OXYGENASE, FORM III, ... | Authors: | Schreuder, H, Cascio, D, Curmi, P.M.G, Chapman, M.S, Suh, S.W, Eisenberg, D.S. | Deposit date: | 1990-05-25 | Release date: | 1992-10-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the unactivated form of ribulose-1,5-bisphosphate carboxylase/oxygenase from tobacco refined at 2.0-A resolution. J.Biol.Chem., 267, 1992
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3SC2
| REFINED ATOMIC MODEL OF WHEAT SERINE CARBOXYPEPTIDASE II AT 2.2-ANGSTROMS RESOLUTION | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SERINE CARBOXYPEPTIDASE II (CPDW-II), alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Liao, D.-I, Remington, S.J. | Deposit date: | 1992-07-01 | Release date: | 1993-10-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Refined atomic model of wheat serine carboxypeptidase II at 2.2-A resolution. Biochemistry, 31, 1992
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1CSN
| BINARY COMPLEX OF CASEIN KINASE-1 WITH MGATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CASEIN KINASE-1, MAGNESIUM ION, ... | Authors: | Xu, R.-M, Cheng, X. | Deposit date: | 1995-04-25 | Release date: | 1995-07-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of casein kinase-1, a phosphate-directed protein kinase. EMBO J., 14, 1995
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2CSN
| BINARY COMPLEX OF CASEIN KINASE-1 WITH CKI7 | Descriptor: | CASEIN KINASE-1, N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDE, SULFATE ION | Authors: | Xu, R.-M, Cheng, X. | Deposit date: | 1995-10-11 | Release date: | 1996-03-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for selectivity of the isoquinoline sulfonamide family of protein kinase inhibitors. Proc.Natl.Acad.Sci.USA, 93, 1996
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