8OZK
 
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8OZH
 | | In situ cryoEM structure of Prototype Foamy Virus Env trimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Calcraft, T, Nans, A, Rosenthal, P.B. | | Deposit date: | 2023-05-09 | | Release date: | 2024-07-10 | | Last modified: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (2.91 Å) | | Cite: | Integrated cryoEM structure of a spumaretrovirus reveals cross-kingdom evolutionary relationships and the molecular basis for assembly and virus entry.
Cell, 187, 2024
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8OZM
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6WH3
 | | Capsid structure of Penaeus monodon metallodensovirus at pH 8.2 | | Descriptor: | CALCIUM ION, Penaeus monodon metallodensovirus major capsid protein | | Authors: | Penzes, J.J, Pham, H.T, Chipman, P, Bhattacharya, N, McKenna, R, Agbandje-McKenna, M, Tijssen, P. | | Deposit date: | 2020-04-07 | | Release date: | 2020-04-22 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Molecular biology and structure of a novel penaeid shrimp densovirus elucidate convergent parvoviral host capsid evolution.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5IGL
 | | Crystal structure of the second bromodomain of human TAF1L in complex with bromosporine (BSP) | | Descriptor: | Bromosporine, Transcription initiation factor TFIID subunit 1-like | | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Krojer, T, Tallant, C, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-02-28 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Promiscuous targeting of bromodomains by bromosporine identifies BET proteins as master regulators of primary transcription response in leukemia.
Sci Adv, 2, 2016
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3FEC
 | | Crystal structure of human Glutamate Carboxypeptidase III (GCPIII/NAALADase II), pseudo-unliganded | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ... | | Authors: | Barinka, C, Lubkowski, J, Hlouchova, K. | | Deposit date: | 2008-11-28 | | Release date: | 2009-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structural insight into the evolutionary and pharmacologic homology of glutamate carboxypeptidases II and III
Febs J., 276, 2009
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5ZSX
 | | Catechol 2,3-dioxygenase with 3-fluorocatechol from Diaphorobacter sp DS2 | | Descriptor: | 1,2-ETHANEDIOL, 3-FLUOROBENZENE-1,2-DIOL, CALCIUM ION, ... | | Authors: | Mishra, K, Arya, C.K, Subramanian, R, Ramanathan, G. | | Deposit date: | 2018-04-30 | | Release date: | 2019-06-12 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Catechol 2,3-dioxygenase with 3-fluorocatechol from Diaphorobacter sp DS2.
To Be Published
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4EY8
 | | Crystal structure of recombinant human acetylcholinesterase in complex with fasciculin-2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, Fasciculin-2, ... | | Authors: | Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M. | | Deposit date: | 2012-05-01 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5958 Å) | | Cite: | Structures of human acetylcholinesterase in complex with pharmacologically important ligands.
J.Med.Chem., 55, 2012
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5IAG
 | | Caspase 3 V266Q | | Descriptor: | ACE-ASP-GLU-VAL-ASK, ASP-ASP-ASP-MET, Caspase-3 | | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | | Deposit date: | 2016-02-21 | | Release date: | 2016-10-26 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
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4EY6
 | | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with (-)-galantamine | | Descriptor: | (-)-GALANTHAMINE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M. | | Deposit date: | 2012-05-01 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3983 Å) | | Cite: | Structures of human acetylcholinesterase in complex with pharmacologically important ligands.
J.Med.Chem., 55, 2012
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4E8O
 | | Crystal structure of aminoglycoside antibiotic 6'-N-acetyltransferase AAC(6')-Ih from Acinetobacter baumannii | | Descriptor: | Aac(6')-Ih protein, CHLORIDE ION | | Authors: | Stogios, P.J, Minasov, G, Dong, A, Evdokimova, E, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-03-20 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.138 Å) | | Cite: | Structural and Biochemical Characterization of Acinetobacter spp. Aminoglycoside Acetyltransferases Highlights Functional and Evolutionary Variation among Antibiotic Resistance Enzymes.
ACS Infect Dis., 3, 2017
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1TYO
 | | Isocitrate Dehydrogenase from the hyperthermophile Aeropyrum pernix in complex with etheno-NADP | | Descriptor: | ETHENO-NADP, isocitrate dehydrogenase | | Authors: | Karlstrom, M, Stokke, R, Steen, I.H, Birkeland, N, Ladenstein, R. | | Deposit date: | 2004-07-08 | | Release date: | 2005-07-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Isocitrate dehydrogenase from the hyperthermophile Aeropyrum pernix: X-ray structure analysis of a ternary enzyme-substrate complex and thermal stability
J.Mol.Biol., 345, 2005
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3FF3
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3NV4
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5IGK
 | | Crystal structure of the first bromodomain of human BRD4 in complex with bromosporine (BSP) | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Bromosporine | | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-02-28 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Promiscuous targeting of bromodomains by bromosporine identifies BET proteins as master regulators of primary transcription response in leukemia.
Sci Adv, 2, 2016
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3NV2
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5BNA
 | | THE PRIMARY MODE OF BINDING OF CISPLATIN TO A B-DNA DODECAMER: C-G-C-G-A-A-T-T-C-G-C-G | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), PLATINUM TRIAMINE ION | | Authors: | Wing, R.M, Pjura, P, Drew, H.R, Dickerson, R.E. | | Deposit date: | 1983-08-22 | | Release date: | 1983-11-02 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The primary mode of binding of cisplatin to a B-DNA dodecamer: C-G-C-G-A-A-T-T-C-G-C-G
EMBO J., 3, 1984
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4EY5
 | | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with (-)-huperzine A | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M. | | Deposit date: | 2012-05-01 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3012 Å) | | Cite: | Structures of human acetylcholinesterase in complex with pharmacologically important ligands.
J.Med.Chem., 55, 2012
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3KUK
 | | Trapping of an oxocarbenium ion intermediate in UP crystals | | Descriptor: | 2'-DEOXYURIDINE, SULFATE ION, Uridine phosphorylase | | Authors: | Paul, D, O'Leary, S, Rajashankar, K, Bu, W, Toms, A, Settembre, E, Sanders, J, Begley, T.P, Ealick, S.E. | | Deposit date: | 2009-11-27 | | Release date: | 2010-04-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.783 Å) | | Cite: | Glycal formation in crystals of uridine phosphorylase.
Biochemistry, 49, 2010
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7QD8
 | | Cryo-EM structure of Tn4430 TnpA transposase from Tn3 family in apo state | | Descriptor: | Transposase for transposon Tn4430 | | Authors: | Shkumatov, A.V, Oger, C.A, Aryanpour, N, Hallet, B.F, Efremov, R.G. | | Deposit date: | 2021-11-26 | | Release date: | 2022-10-26 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural insight into Tn3 family transposition mechanism.
Nat Commun, 13, 2022
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7QD4
 | | Cryo-EM structure of Tn4430 TnpA transposase from Tn3 family in complex with 100 bp long transposon end DNA | | Descriptor: | IR100 DNA substrate, none transferred strand, transferred strand, ... | | Authors: | Shkumatov, A.V, Oger, C.A, Aryanpour, N, Hallet, B.F, Efremov, R.G. | | Deposit date: | 2021-11-26 | | Release date: | 2022-10-26 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural insight into Tn3 family transposition mechanism.
Nat Commun, 13, 2022
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3KVY
 | | Trapping of an oxocarbenium ion intermediate in UP crystals | | Descriptor: | 1,4-anhydro-D-erythro-pent-1-enitol, SULFATE ION, URACIL, ... | | Authors: | Paul, D, O'Leary, S, Rajashankar, K, Bu, W, Toms, A, Settembre, E, Sanders, J, Begley, T.P, Ealick, S.E. | | Deposit date: | 2009-11-30 | | Release date: | 2010-04-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Glycal formation in crystals of uridine phosphorylase.
Biochemistry, 49, 2010
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5ZZ2
 | | Crystal structure of PDE5 in complex with inhibitor LW1634 | | Descriptor: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Wu, D, Huang, Y.D, Huang, Y.Y, Luo, H.B. | | Deposit date: | 2018-05-29 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Optimization of Chromeno[2,3- c]pyrrol-9(2 H)-ones as Highly Potent, Selective, and Orally Bioavailable PDE5 Inhibitors: Structure-Activity Relationship, X-ray Crystal Structure, and Pharmacodynamic Effect on Pulmonary Arterial Hypertension.
J. Med. Chem., 61, 2018
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5ZSZ
 | | Catechol 2,3-dioxygenase (C23O64) from Diaphorobacter sp DS2 | | Descriptor: | CALCIUM ION, Catechol 2,3-dioxygenase, Extradiol ring cleavage protein, ... | | Authors: | Mishra, K, Arya, C.K, Subramanian, R, Ramanathan, G. | | Deposit date: | 2018-04-30 | | Release date: | 2019-05-22 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Catechol 2,3-dioxygenase (C23O64) from Diaphorobacter sp DS2
To Be Published
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3L0R
 | | Crystal Structure of Salivary Cystatin from the Soft Tick Ornithodoros moubata | | Descriptor: | CHLORIDE ION, Cystatin-2, GLYCEROL | | Authors: | Rezacova, P, Brynda, J, Andersen, J.F, Salat, J, Kovarova, Z, Mares, M. | | Deposit date: | 2009-12-10 | | Release date: | 2010-06-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure and functional characterization of an immunomodulatory salivary cystatin from the soft tick Ornithodoros moubata
Biochem.J., 429, 2010
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