1SGK
 
 | | NUCLEOTIDE-FREE DIPHTHERIA TOXIN | | Descriptor: | DIPHTHERIA TOXIN (DIMERIC) | | Authors: | Bell, C.E, Eisenberg, D. | | Deposit date: | 1996-09-12 | | Release date: | 1996-12-23 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of nucleotide-free diphtheria toxin.
Biochemistry, 36, 1997
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6TIJ
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6TSG
 | | Crystal structure of Peroxisome proliferator-activated receptor gamma (PPARG) in complex with TETRAC | | Descriptor: | 3,3',5,5'-TETRAIODOTHYROACETIC ACID, Peroxisome proliferator-activated receptor gamma | | Authors: | Chaikuad, A, Gellrich, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-12-20 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | l-Thyroxin and the Nonclassical Thyroid Hormone TETRAC Are Potent Activators of PPAR gamma.
J.Med.Chem., 63, 2020
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2J50
 | | Structure of Aurora-2 in complex with PHA-739358 | | Descriptor: | N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE 6, SULFATE ION | | Authors: | Cameron, A.D, Izzo, G, Storici, P, Rusconi, L, Fancelli, D, Varasi, M, Berta, D, Bindi, S, Forte, B, Severino, D, Tonani, R, Vianello, P. | | Deposit date: | 2006-09-08 | | Release date: | 2006-11-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | 1,4,5,6-Tetrahydropyrrolo[3,4-C]Pyrazoles: Identification of a Potent Aurora Kinase Inhibitor with a Favorable Antitumor Kinase Inhibition Profile.
J.Med.Chem., 49, 2006
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7OWD
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7OWC
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7OSE
 | | cytochrome bd-II type oxidase with bound aurachin D | | Descriptor: | Aurachin D, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Cytochrome bd-II ubiquinol oxidase subunit 1, ... | | Authors: | Grauel, A, Kaegi, J, Rasmussen, T, Wohlwend, D, Boettcher, B, Friedrich, T. | | Deposit date: | 2021-06-08 | | Release date: | 2021-11-17 | | Last modified: | 2023-09-20 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure of Escherichia coli cytochrome bd-II type oxidase with bound aurachin D.
Nat Commun, 12, 2021
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1EPG
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1QYZ
 | | Characterization of the malformed, recombinant cytochrome rC552 | | Descriptor: | 2-ACETYL-PROTOPORPHYRIN IX, Cytochrome c-552 | | Authors: | Fee, J.A, Todaro, T.R, Luna, E, Sanders, D, Hunsicker-Wang, L.M, Patel, K.M, Bren, K.L, Gomez-Moran, E, Hill, M.G, Ai, J, Loehr, T.M, Oertling, W.A, Williams, P.A, Stout, C.D, McRee, D, Pastuszyn, A. | | Deposit date: | 2003-09-12 | | Release date: | 2004-09-28 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Cytochrome rC552, formed during expression of the truncated, Thermus thermophilus cytochrome c552 gene in the cytoplasm of Escherichia coli, reacts spontaneously to form protein-bound 2-formyl-4-vinyl (Spirographis) heme.
Biochemistry, 43, 2004
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1EPJ
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6UC5
 | | Fab397 in complex with NPNA peptide | | Descriptor: | Fab397 heavy chain, Fab397 light chain, NPNA peptide | | Authors: | Pholcharee, T, Oyen, D, Wilson, I.A. | | Deposit date: | 2019-09-13 | | Release date: | 2020-01-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Diverse Antibody Responses to Conserved Structural Motifs in Plasmodium falciparum Circumsporozoite Protein.
J.Mol.Biol., 432, 2020
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1RVA
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6RS2
 | | Structure of the Bateman module of human CNNM4. | | Descriptor: | Metal transporter CNNM4 | | Authors: | Corral-Rodriguez, M.A, Stuiver, M, Gomez-Garcia, I, Oyenarte, I, Gimenez, P, Ereno-Orbea, J, Diercks, T, Muller, D, Martinez-Cruz, L.A. | | Deposit date: | 2019-05-21 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.694 Å) | | Cite: | Structural Insights into the Intracellular Region of the Human Magnesium Transport Mediator CNNM4.
Int J Mol Sci, 20, 2019
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1EPH
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1RVB
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6TXZ
 | | FAB PART OF M6903 IN COMPLEX WITH HUMAN TIM3 | | Descriptor: | Fab H, Fab L, Hepatitis A virus cellular receptor 2 | | Authors: | Musil, D, Sood, V. | | Deposit date: | 2020-01-15 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Identification and characterization of M6903, an antagonistic anti-TIM-3 monoclonal antibody.
Oncoimmunology, 9, 2020
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6RSR
 | | TBK1 in complex with compound 2 | | Descriptor: | Serine/threonine-protein kinase TBK1, ~{N}-(cyclopropen-1-ylmethyl)-2-[[4-[[4-[3,3,3-tris(fluoranyl)propanoyl]piperazin-1-yl]methyl]pyridin-2-yl]amino]-1~{H}-benzimidazole-5-carboxamide | | Authors: | Panne, D, Hillig, R.C, Rengachari, S. | | Deposit date: | 2019-05-22 | | Release date: | 2020-01-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor.
J.Med.Chem., 63, 2020
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1E7J
 | | HMG-D complexed to a bulge DNA | | Descriptor: | DNA (5'-D(*CP*GP*AP*TP*AP*TP*TP*AP*AP*GP*AP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*TP*CP*AP*AP*TP*AP*TP*CP*G)-3'), HIGH MOBILITY GROUP PROTEIN D | | Authors: | Cerdan, R, Payet, D, Yang, J.-C, Travers, A.A, Neuhaus, D. | | Deposit date: | 2000-08-29 | | Release date: | 2001-03-05 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Hmg-D Complexed to a Bulge DNA: An NMR Model
Protein Sci., 10, 2001
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5LFH
 | | NMR structure of peptide 10 targeting CXCR4 | | Descriptor: | ACE-ARG-ALA-DCY-ARG-PHE-PHE-CYS | | Authors: | Di Maro, S, Trotta, A.M, Brancaccio, D, Di Leva, F.S, La Pietra, V, Ierano, C, Napolitano, M, Portella, L, D'Alterio, C, Siciliano, R.A, Sementa, D, Tomassi, S, Carotenuto, A, Novellino, E, Scala, S, Marinelli, L. | | Deposit date: | 2016-07-01 | | Release date: | 2016-09-07 | | Last modified: | 2016-10-05 | | Method: | SOLUTION NMR | | Cite: | Exploring the N-Terminal Region of C-X-C Motif Chemokine 12 (CXCL12): Identification of Plasma-Stable Cyclic Peptides As Novel, Potent C-X-C Chemokine Receptor Type 4 (CXCR4) Antagonists.
J.Med.Chem., 59, 2016
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1EPI
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7P2N
 | | E.coli GyrB24 with inhibitor LSJ38 (EBL2684) | | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-5-oxidanyl-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, PHOSPHATE ION | | Authors: | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | | Deposit date: | 2021-07-06 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Exploring the 5-Substituted 2-Aminobenzothiazole-Based DNA Gyrase B Inhibitors Active against ESKAPE Pathogens.
Acs Omega, 8, 2023
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6RST
 | | TBK1 in complex with inhibitor compound 24 | | Descriptor: | 1-[4-[(1~{R})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one, Serine/threonine-protein kinase TBK1 | | Authors: | Panne, D, Hillig, R.C, Rengachari, S. | | Deposit date: | 2019-05-22 | | Release date: | 2020-01-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (3.29 Å) | | Cite: | Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor.
J.Med.Chem., 63, 2020
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5LFF
 | | NMR structure of peptide 2 targeting CXCR4 | | Descriptor: | ARG-ALA-CYS-ARG-PHE-PHE-CYS | | Authors: | Di Maro, S, Trotta, A.M, Brancaccio, D, Di Leva, F.S, La Pietra, V, Ierano, C, Napolitano, M, Portella, L, D'Alterio, C, Siciliano, R.A, Sementa, D, Tomassi, S, Carotenuto, A, Novellino, E, Scala, S, Marinelli, L. | | Deposit date: | 2016-07-01 | | Release date: | 2016-09-07 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Exploring the N-Terminal Region of C-X-C Motif Chemokine 12 (CXCL12): Identification of Plasma-Stable Cyclic Peptides As Novel, Potent C-X-C Chemokine Receptor Type 4 (CXCR4) Antagonists.
J.Med.Chem., 59, 2016
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2J4Z
 | | Structure of Aurora-2 in complex with PHA-680626 | | Descriptor: | 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE, ARSENIC, SERINE THREONINE-PROTEIN KINASE 6 | | Authors: | Cameron, A.D, Izzo, G, Storici, P, Rusconi, L, Fancelli, D, Varasi, M, Berta, D, Bindi, S, Forte, B, Severino, D, Tonani, R, Vianello, P. | | Deposit date: | 2006-09-08 | | Release date: | 2006-11-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazoles: identification of a potent Aurora kinase inhibitor with a favorable antitumor kinase inhibition profile.
J. Med. Chem., 49, 2006
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5LOQ
 | | Structure of coproheme bound HemQ from Listeria monocytogenes | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, Putative heme-dependent peroxidase lmo2113, ... | | Authors: | Puehringer, D, Mlynek, G, Hofbauer, S, Djinovic-Carugo, K, Obinger, C. | | Deposit date: | 2016-08-09 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Hydrogen peroxide-mediated conversion of coproheme to heme b by HemQ-lessons from the first crystal structure and kinetic studies.
FEBS J., 283, 2016
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