6U96
| Actin phalloidin at BeFx state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Das, S, Ge, P, Durer, Z.A.O, Grintsevich, E.E, Zhou, Z.H, Reisler, E. | Deposit date: | 2019-09-06 | Release date: | 2020-05-13 | Last modified: | 2020-05-20 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | D-loop Dynamics and Near-Atomic-Resolution Cryo-EM Structure of Phalloidin-Bound F-Actin. Structure, 28, 2020
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1MNO
| V68N MYOGLOBIN OXY FORM | Descriptor: | OXYGEN MOLECULE, PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Murshudov, G.N, Krzywda, S, Brzozowski, A.M, Jaskolski, M, Scott, E.E, Klizas, S.A, Gibson, Q.H, Olson, J.S, Wilkinson, A.J. | Deposit date: | 1998-08-13 | Release date: | 1998-08-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Stabilizing bound O2 in myoglobin by valine68 (E11) to asparagine substitution. Biochemistry, 37, 1998
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5IRV
| Human cytochrome P450 17A1 bound to inhibitor VT-464 | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase, VT-464 | Authors: | Scott, E.E, Petrunak, E.M. | Deposit date: | 2016-03-14 | Release date: | 2017-03-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.098 Å) | Cite: | Structural and Functional Evaluation of Clinically Relevant Inhibitors of Steroidogenic Cytochrome P450 17A1. Drug Metab. Dispos., 45, 2017
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1L6X
| FC FRAGMENT OF RITUXIMAB BOUND TO A MINIMIZED VERSION OF THE B-DOMAIN FROM PROTEIN A CALLED Z34C | Descriptor: | IMMUNOGLOBULIN GAMMA-1 HEAVY CHAIN CONSTANT REGION, Minimized B-domain of Protein A Z34C, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Idusogie, E.E, Presta, L.G, Santoro-Gazzano, H, Totpal, K, Wong, P.Y, Ultsch, M, Meng, Y.G, Mullkerrin, M.G. | Deposit date: | 2002-03-14 | Release date: | 2002-04-10 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Mapping of the C1q binding site on rituxan, a chimeric antibody with a human IgG1 Fc. J.Immunol., 164, 2000
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6UDL
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5FAL
| Crystal structure of PvHCT in complex with CoA and p-coumaroyl-shikimate | Descriptor: | (3~{R},4~{R},5~{R})-5-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3,4-bis(oxidanyl)cyclohexene-1-carboxylic acid, COENZYME A, GLYCEROL, ... | Authors: | Pereira, J.H, Moriarty, N.W, Eudes, A, Yogiswara, S, Wang, G, Benites, V.T, Baidoo, E.E.K, Lee, T.S, Keasling, J.D, Loque, D, Adams, P.D. | Deposit date: | 2015-12-11 | Release date: | 2016-02-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.861 Å) | Cite: | Exploiting the Substrate Promiscuity of Hydroxycinnamoyl-CoA:Shikimate Hydroxycinnamoyl Transferase to Reduce Lignin. Plant Cell.Physiol., 57, 2016
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5J2Z
| PRV UL37 N-terminal half (R2 mutant) | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Heldwein, E.E, Pitts, J.D. | Deposit date: | 2016-03-30 | Release date: | 2017-10-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The pUL37 tegument protein guides alpha-herpesvirus retrograde axonal transport to promote neuroinvasion. PLoS Pathog., 13, 2017
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1M6C
| V68N MYOGLOBIN WITH CO | Descriptor: | CARBON MONOXIDE, PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Murshudov, G.N, Krzywda, S, Brzozowski, A.M, Jaskolski, M, Scott, E.E, Klizas, S.A, Gibson, Q.H, Olson, J.S, Wilkinson, A.J. | Deposit date: | 1998-08-12 | Release date: | 1998-08-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Stabilizing bound O2 in myoglobin by valine68 (E11) to asparagine substitution. Biochemistry, 37, 1998
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1MWD
| WILD TYPE DEOXY MYOGLOBIN | Descriptor: | PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Murshudov, G.N, Krzywda, S, Brzozowski, A.M, Jaskolski, M, Scott, E.E, Klizas, A.A, Gibson, Q.H, Olson, J.S, Wilkinson, A.J. | Deposit date: | 1998-08-11 | Release date: | 1998-08-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Stabilizing bound O2 in myoglobin by valine68 (E11) to asparagine substitution. Biochemistry, 37, 1998
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6UDM
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6F5U
| CRYSTAL STRUCTURE OF EBOLAVIRUS GLYCOPROTEIN IN COMPLEX WITH BEPRIDIL | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bepridil, DIMETHYL SULFOXIDE, ... | Authors: | Ren, J, Zhao, Y, Fry, E.E, Stuart, D.I. | Deposit date: | 2017-12-03 | Release date: | 2018-01-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Target Identification and Mode of Action of Four Chemically Divergent Drugs against Ebolavirus Infection. J. Med. Chem., 61, 2018
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6TI6
| Mixing Abeta(1-40) and Abeta(1-42) peptides generates unique amyloid fibrils | Descriptor: | Amyloid-beta precursor protein | Authors: | Cerofolini, L, Ravera, E, Bologna, S, Wiglenda, T, Boddrich, A, Purfurst, B, Benilova, A, Korsak, M, Gallo, G, Rizzo, D, Gonnelli, L, Fragai, M, De Strooper, B, Wanker, E.E, Luchinat, C. | Deposit date: | 2019-11-21 | Release date: | 2020-07-22 | Last modified: | 2024-06-19 | Method: | SOLID-STATE NMR | Cite: | Mixing A beta (1-40) and A beta (1-42) peptides generates unique amyloid fibrils. Chem.Commun.(Camb.), 56, 2020
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5JI7
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5JI9
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5JIU
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5JIA
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6F6I
| CRYSTAL STRUCTURE OF EBOLAVIRUS GLYCOPROTEIN IN COMPLEX WITH PAROXETINE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Envelope glycoprotein, ... | Authors: | Ren, J, Zhao, Y, Fry, E.E, Stuart, D.I. | Deposit date: | 2017-12-05 | Release date: | 2018-01-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Target Identification and Mode of Action of Four Chemically Divergent Drugs against Ebolavirus Infection. J. Med. Chem., 61, 2018
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5IRQ
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6DWN
| Structure of Human Cytochrome P450 1A1 with Erlotinib | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Cytochrome P450 1A1, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Bart, A.G, Scott, E.E. | Deposit date: | 2018-06-26 | Release date: | 2018-10-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of human cytochrome P450 1A1 with bergamottin and erlotinib reveal active-site modifications for binding of diverse ligands. J. Biol. Chem., 293, 2018
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5FAN
| Crystal structure of PvHCT in complex with p-coumaroyl-CoA and protocatechuate | Descriptor: | 3,4-DIHYDROXYBENZOIC ACID, Hydroxycinnamoyl-CoA shikimate/quinate hydroxycinnamoyltransferase 2, p-coumaroyl-CoA | Authors: | Pereira, J.H, Moriarty, N.W, Eudes, A, Yogiswara, S, Wang, G, Benites, V.T, Baidoo, E.E.K, Lee, T.S, Keasling, J.D, Loque, D, Adams, P.D. | Deposit date: | 2015-12-11 | Release date: | 2016-02-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Exploiting the Substrate Promiscuity of Hydroxycinnamoyl-CoA:Shikimate Hydroxycinnamoyl Transferase to Reduce Lignin. Plant Cell.Physiol., 57, 2016
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5EHU
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6F6N
| CRYSTAL STRUCTURE OF EBOLAVIRUS GLYCOPROTEIN IN COMPLEX WITH SERTRALINE | Descriptor: | (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Ren, J, Zhao, Y, Fry, E.E, Stuart, D.I. | Deposit date: | 2017-12-05 | Release date: | 2018-01-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Target Identification and Mode of Action of Four Chemically Divergent Drugs against Ebolavirus Infection. J. Med. Chem., 61, 2018
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6F6S
| CRYSTAL STRUCTURE OF EBOLAVIRUS GLYCOPROTEIN IN COMPLEX WITH benztropine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Envelope glycoprotein, ... | Authors: | Ren, J, Zhao, Y, Fry, E.E, Stuart, D.I. | Deposit date: | 2017-12-06 | Release date: | 2018-01-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Target Identification and Mode of Action of Four Chemically Divergent Drugs against Ebolavirus Infection. J. Med. Chem., 61, 2018
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1MWC
| WILD TYPE MYOGLOBIN WITH CO | Descriptor: | CARBON MONOXIDE, PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Murshudov, G.N, Krzywda, S, Brzozowski, A.M, Jaskolski, M, Scott, E.E, Klizas, S.A, Gibson, Q.H, Olson, J.S, Wilkinson, A.J. | Deposit date: | 1998-08-12 | Release date: | 1998-08-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Stabilizing bound O2 in myoglobin by valine68 (E11) to asparagine substitution. Biochemistry, 37, 1998
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5H22
| Hsp90 alpha N-terminal domain in complex with an inhibitor | Descriptor: | 4-chloranyl-7-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]-5-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine, Hsp90aa1 protein | Authors: | Kim, E.E, Shin, S.C, Keum, G.C. | Deposit date: | 2016-10-13 | Release date: | 2017-10-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Synthesis and in vitro antiproliferative activity of C5-benzyl substituted 2-amino-pyrrolo[2,3-d]pyrimidines as potent Hsp90 inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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