8W3A
 
 | | Crystal structure of Shewanella benthica Group 1 truncated hemoglobin C51S C71S variant with trans heme D | | Descriptor: | Group 1 truncated hemoglobin, PROTOPORPHYRIN IX CONTAINING FE, {3-[(2R,5'R)-9',14'-diethenyl-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa[1,3(24),6,8,10,12,14,16(22),17,19]decaen]-20'-yl-kappa~4~N~21'~,N~22'~,N~23'~,N~24'~]propanoato}iron | | Authors: | Lecomte, J.T.J, Schlessman, J.L, Schultz, T.D, Siegler, M.A. | | Deposit date: | 2024-02-22 | | Release date: | 2024-04-03 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Heme d formation in a Shewanella benthica hemoglobin.
J.Inorg.Biochem., 259, 2024
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8KGS
 | | Structure of African swine fever virus topoisomerase II in complex with dsDNA | | Descriptor: | DNA topoisomerase 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Cong, J, Xin, Y, Li, X, Chen, Y. | | Deposit date: | 2023-08-19 | | Release date: | 2024-04-03 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.603 Å) | | Cite: | Structural insights into the DNA topoisomerase II of the African swine fever virus.
Nat Commun, 15, 2024
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2BNN
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7AZX
 | | Crystal structure of the MIZ1-BTB-domain in complex with a HUWE1-derived peptide | | Descriptor: | E3 ubiquitin-protein ligase HUWE1, Zinc finger and BTB domain-containing protein 17 isoform X1 | | Authors: | Orth, B, Sander, B, Diederichs, K, Lorenz, S. | | Deposit date: | 2020-11-17 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Identification of an atypical interaction site in the BTB domain of the MYC-interacting zinc-finger protein 1.
Structure, 29, 2021
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8KGT
 | | Structure of African swine fever virus topoisomerase II in complex with dsDNA | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA topoisomerase 2 | | Authors: | Cong, J, Xin, Y, Li, X, Chen, Y. | | Deposit date: | 2023-08-19 | | Release date: | 2024-04-03 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural insights into the DNA topoisomerase II of the African swine fever virus.
Nat Commun, 15, 2024
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1W03
 | | Isopenicillin N Synthase Aminoadipoyl-Cysteinyl-Glycine-Fe Complex | | Descriptor: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-GLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ... | | Authors: | Long, A.J, Clifton, I.J, Rutledge, P.J. | | Deposit date: | 2004-06-01 | | Release date: | 2005-05-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Studies on the Reaction of Isopenicillin N Synthase with the Truncated Substrate Analogues Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-Glycine and Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D- Alanine
Biochemistry, 44, 2005
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1W05
 | | Isopenicillin N Synthase Aminoadipoyl-Cysteinyl-Alanine-Fe Complex | | Descriptor: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-ALANINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ... | | Authors: | Long, A.J, Clifton, I.J, Rutledge, P.J. | | Deposit date: | 2004-06-01 | | Release date: | 2005-05-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Structural Studies on the Reaction of Isopenicillin N Synthase with the Truncated Substrate Analogues Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-Glycine and Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D- Alanine
Biochemistry, 44, 2005
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7UG1
 | | CDK2 liganded with para chloro ANS | | Descriptor: | 1,2-ETHANEDIOL, 8-(4-chloroanilino)naphthalene-1-sulfonic acid, Cyclin-dependent kinase 2, ... | | Authors: | Schonbrunn, E, Martin, M. | | Deposit date: | 2022-03-23 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Allosteric inhibitors of CDK2
To Be Published
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5IME
 | | Crystal structure of P21-activated kinase 1 (PAK1) in complex with compound 9 | | Descriptor: | 8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2H)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1 | | Authors: | Li, D, Wang, W. | | Deposit date: | 2016-03-06 | | Release date: | 2016-05-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.217 Å) | | Cite: | Chemically Diverse Group I p21-Activated Kinase (PAK) Inhibitors Impart Acute Cardiovascular Toxicity with a Narrow Therapeutic Window.
J.Med.Chem., 59, 2016
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1VID
 | | CATECHOL O-METHYLTRANSFERASE | | Descriptor: | 3,5-DINITROCATECHOL, CATECHOL O-METHYLTRANSFERASE, MAGNESIUM ION, ... | | Authors: | Vidgren, J, Svensson, L.A, Liljas, A. | | Deposit date: | 1996-01-05 | | Release date: | 1996-07-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of catechol O-methyltransferase.
Nature, 368, 1994
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2PFQ
 | | Manganese promotes catalysis in a DNA polymerase lambda-DNA crystal | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA polymerase lambda, Downstream Primer, ... | | Authors: | Garcia-Diaz, M, Bebenek, K, Krahn, J.M, Pedersen, L.C, Kunkel, T.A. | | Deposit date: | 2007-04-05 | | Release date: | 2007-05-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Role of the catalytic metal during polymerization by DNA polymerase lambda.
DNA Repair, 6, 2007
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7AYE
 | | Crystal structure of the computationally designed chemically disruptable heterodimer LD6-MDM2 | | Descriptor: | Isoform 11 of E3 ubiquitin-protein ligase Mdm2, Thiol:disulfide interchange protein DsbD | | Authors: | Yang, C, Lau, K, Pojer, F, Correia, B.E. | | Deposit date: | 2020-11-12 | | Release date: | 2021-08-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | A rational blueprint for the design of chemically-controlled protein switches.
Nat Commun, 12, 2021
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8R5O
 | | Plastid-encoded RNA polymerase | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Webster, M.W, Pramanick, I, Vergara-Cruces, A. | | Deposit date: | 2023-11-17 | | Release date: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (2.49 Å) | | Cite: | Structure of the plant plastid-encoded RNA polymerase.
Cell, 187, 2024
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5A7W
 | | Crystal structure of human JMJD2A in complex with compound 35 | | Descriptor: | 1,2-ETHANEDIOL, 2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ... | | Authors: | Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | | Deposit date: | 2015-07-10 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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8BTZ
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5AGR
 | | Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP | | Descriptor: | 1,2-ETHANEDIOL, 3-AMINOMETHYL-7-(ETHOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified adenosine, LEUCINE, ... | | Authors: | Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J. | | Deposit date: | 2015-02-03 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
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8R02
 | | Crystal structure of the retromer complex VPS29/VPS35 with the ligand bis-1,3-phenyl guanylhydrazone, 2a | | Descriptor: | Bis-1,3-phenyl guanylhydrazon, Vacuolar protein sorting-associated protein 29, Vacuolar protein sorting-associated protein 35 | | Authors: | Milani, M, Fagnani, E. | | Deposit date: | 2023-10-30 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Stabilization of the retromer complex: Analysis of novel binding sites of bis-1,3-phenyl guanylhydrazone 2a to the VPS29/VPS35 interface.
Comput Struct Biotechnol J, 23, 2024
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1WKW
 | | Crystal structure of the ternary complex of eIF4E-m7GpppA-4EBP1 peptide | | Descriptor: | Eukaryotic translation initiation factor 4E, Eukaryotic translation initiation factor 4E binding protein 1, P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE | | Authors: | Tomoo, K, Matsushita, Y, Fujisaki, H, Shen, X, Miyagawa, H, Kitamura, K, Miura, K, Ishida, T. | | Deposit date: | 2004-06-10 | | Release date: | 2005-06-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for mRNA Cap-Binding regulation of eukaryotic initiation factor 4E by 4E-binding protein, studied by spectroscopic, X-ray crystal structural, and molecular dynamics simulation methods
Biochim.Biophys.Acta, 1753, 2005
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2BUH
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5A7S
 | | Crystal structure of human JMJD2A in complex with compound 44 | | Descriptor: | 1,2-ETHANEDIOL, 2-(5-acetamido-2-oxidanyl-phenyl)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ... | | Authors: | Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | | Deposit date: | 2015-07-09 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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8V3C
 | | AgamOR28 structure without ligand | | Descriptor: | OR28, Odorant receptor Orco | | Authors: | Zhao, J, del Marmol, J. | | Deposit date: | 2023-11-27 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.62 Å) | | Cite: | Structural basis of odor sensing by insect heteromeric odorant receptors.
Science, 384, 2024
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8R6S
 | | Plastid-encoded RNA polymerase (Integrated model) | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Webster, M.W, Pramanick, I, Vergara-Cruces, A. | | Deposit date: | 2023-11-22 | | Release date: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (2.49 Å) | | Cite: | Structure of the plant plastid-encoded RNA polymerase.
Cell, 187, 2024
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1Q04
 | | Crystal structure of FGF-1, S50E/V51N | | Descriptor: | FORMIC ACID, Heparin-binding growth factor 1 | | Authors: | Kim, J, Blaber, M. | | Deposit date: | 2003-07-15 | | Release date: | 2004-07-27 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Sequence swapping does not result in conformation swapping for the beta4/beta5 and beta8/beta9 beta-hairpin turns in human acidic fibroblast growth factor
Protein Sci., 14, 2005
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8RDJ
 | | Plastid-encoded RNA polymerase transcription elongation complex (Integrated model) | | Descriptor: | DNA (81-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Webster, M.W, Pramanick, I, Vergara-Cruces, A. | | Deposit date: | 2023-12-08 | | Release date: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (2.62 Å) | | Cite: | Structure of the plant plastid-encoded RNA polymerase.
Cell, 187, 2024
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7RE6
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