7P4K
| Soluble epoxide hydrolase in complex with FL217 | Descriptor: | Bifunctional epoxide hydrolase 2, ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide | Authors: | Ni, X, Kramer, J.S, Lillich, F, Proschak, E, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2021-07-11 | Release date: | 2022-07-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-Based Design of Dual Partial Peroxisome Proliferator-Activated Receptor gamma Agonists/Soluble Epoxide Hydrolase Inhibitors. J.Med.Chem., 64, 2021
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7OXW
| CrabP2 mutant R30DK31D | Descriptor: | ACETATE ION, Cellular retinoic acid-binding protein 2, SULFATE ION | Authors: | Pastok, M.W, Basle, A, Endicott, J.A. | Deposit date: | 2021-06-23 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Structural requirements for the specific binding of CRABP2 to cyclin D3 To Be Published
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7OXX
| CrabP2 mutant R30AK31A | Descriptor: | Cellular retinoic acid-binding protein 2, SODIUM ION | Authors: | Tomlinson, C.W.E, Basle, A, Pohl, E. | Deposit date: | 2021-06-23 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Structural requirements for the specific binding of CRABP2 to cyclin D3 To Be Published
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7P0U
| ORF virus encoded Bcl-2 homolog ORFV125 in complex with Puma BH3 peptide | Descriptor: | 1,2-ETHANEDIOL, Activator of apoptosis harakiri, Apoptosis inhibitor, ... | Authors: | Suraweera, C.D, Hinds, M.G, Kvansakul, M. | Deposit date: | 2021-06-30 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.99374259 Å) | Cite: | Structural Investigation of Orf Virus Bcl-2 Homolog ORFV125 Interactions with BH3-Motifs from BH3-Only Proteins Puma and Hrk. Viruses, 13, 2021
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6DVC
| Crystal structure of Mycobacterium tuberculosis transcription initiation complex(ECF sigma factor L) containing 5nt RNA with 6nt spacer | Descriptor: | DNA (5'-D(*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*G)-3'), DNA (5'-D(P*CP*GP*TP*GP*TP*CP*AP*GP*TP*AP*GP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*C)-3'), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Lin, W, Das, K, Feng, Y, Ebright, R.H. | Deposit date: | 2018-06-23 | Release date: | 2019-02-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural basis of ECF-sigma-factor-dependent transcription initiation. Nat Commun, 10, 2019
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6DVU
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7OW2
| E3 RING ligase binding domain with peptide | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase RNF187 peptide, E3 ubiquitin-protein ligase TRIM7, ... | Authors: | James, L.C. | Deposit date: | 2021-06-16 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | E3 ligase targeting domain To Be Published
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6D4T
| M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 45 (VCC117054) | Descriptor: | (2S)-N-(2H-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | Authors: | Ascher, D.B, Pacitto, A, Blundell, T.L. | Deposit date: | 2018-04-18 | Release date: | 2019-05-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH. Eur.J.Med.Chem., 174, 2019
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7P2Z
| Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with cyclosulfamidate 4 | Descriptor: | (3~{a}~{R},4~{S},5~{S},6~{S},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-benzo[d][1,2,3]oxathiazole-4,5,6-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Roig-Zamboni, V, Kok, K, Overkleeft, H, Artola, M, Sulzenbacher, G. | Deposit date: | 2021-07-06 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 1,6- epi-Cyclophellitol Cyclosulfamidate Is a Bona Fide Lysosomal alpha-Glucosidase Stabilizer for the Treatment of Pompe Disease. J.Am.Chem.Soc., 144, 2022
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6DG3
| LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in complex with caesium | Descriptor: | CESIUM ION, PHOSPHATE ION, Pyridinium-3,5-biscarboxylic acid mononucleotide sulfurtransferase | Authors: | Fellner, M, Hausinger, R.P, Hu, J. | Deposit date: | 2018-05-16 | Release date: | 2019-05-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.944 Å) | Cite: | Unique cesium-binding sites in proteins, a case study with the sacrificial sulfur transferase LarE J Life Sci, 2021
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7P0S
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7OJU
| Chaetomium thermophilum Naa50 GNAT-domain in complex with bisubstrate analogue CoA-Ac-MVNAL | Descriptor: | CARBOXYMETHYL COENZYME *A, GLYCEROL, HEXAETHYLENE GLYCOL, ... | Authors: | Weidenhausen, J, Kopp, J, Sinning, I. | Deposit date: | 2021-05-17 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Extended N-Terminal Acetyltransferase Naa50 in Filamentous Fungi Adds to Naa50 Diversity. Int J Mol Sci, 23, 2022
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7OWE
| Odinarchaeota Adenylate kinase (OdinAK) in complex with inhibitor Ap5a | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE | Authors: | Grundstrom, C, Aberg-Zingmark, E, Verma, A, Wolf-Watz, M, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2021-06-18 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases. Sci Adv, 8, 2022
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7OWL
| Odinarchaeota Adenylate kinase (OdinAK) in complex with CTP | Descriptor: | Adenylate kinase, CYTIDINE-5'-TRIPHOSPHATE | Authors: | Aberg-Zingmark, E, Grundstrom, C, Verma, A, Wolf-Watz, M, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2021-06-18 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases. Sci Adv, 8, 2022
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7OWK
| Odinarchaeota Adenylate kinase (OdinAK) in complex with dTTP | Descriptor: | Adenylate kinase, THYMIDINE-5'-TRIPHOSPHATE | Authors: | Aberg-Zingmark, E, Grundstrom, C, Verma, A, Wolf-Watz, M, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2021-06-18 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases. Sci Adv, 8, 2022
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7OYE
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6DBN
| Jak1 with compound 23 | Descriptor: | Tyrosine-protein kinase JAK1, [(1S)-2,2-difluorocyclopropyl][(1R,5S)-3-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone | Authors: | Vajdos, F.F. | Deposit date: | 2018-05-03 | Release date: | 2018-08-29 | Last modified: | 2018-11-07 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841). J. Med. Chem., 61, 2018
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7OWH
| Odinarchaeota Adenylate kinase (OdinAK) native structure | Descriptor: | Adenylate kinase, CHLORIDE ION | Authors: | Aberg-Zingmark, E, Grundstrom, C, Verma, A, Wolf-Watz, M, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2021-06-18 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases. Sci Adv, 8, 2022
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7P0J
| Crystal structure of S.pombe Mdb1 BRCT domains | Descriptor: | CITRIC ACID, DNA damage response protein Mdb1, MAGNESIUM ION, ... | Authors: | Day, M, Oliver, A.W, Pearl, L.H. | Deposit date: | 2021-06-29 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Phosphorylation-dependent assembly of DNA damage response systems and the central roles of TOPBP1. DNA Repair (Amst), 108, 2021
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7P0K
| Crystal structure of Autotaxin (ENPP2) with 18F-labeled positron emission tomography ligand | Descriptor: | 2-[[2-ethyl-6-[4-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazole-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Salgado-Polo, F, Shao, T, Xiao, Z, Van, R, Chen, J, Rong, J, Haider, A, Shao, Y, Josephson, L, Perrakis, A, Liang, S.H. | Deposit date: | 2021-06-29 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Imaging Autotaxin In Vivo with 18 F-Labeled Positron Emission Tomography Ligands J Med Chem, 64, 2021
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6DOR
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7OR5
| Ternary complex of 14-3-3 sigma, NotchpS1917 phosphopeptide, and WQ162 | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, Neurogenic locus notch homolog protein 4, ... | Authors: | Centorrino, F, Wu, Q, Ottmann, C. | Deposit date: | 2021-06-04 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A crystallography-based study of fragment extensions
into the 14-3-3 binding groove To Be Published
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6DP4
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7P32
| Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with cyclosulfamidate 6 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Roig-Zamboni, V, Kok, K, Overkleeft, H, Artola, M, Sulzenbacher, G. | Deposit date: | 2021-07-06 | Release date: | 2022-07-13 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | 1,6- epi-Cyclophellitol Cyclosulfamidate Is a Bona Fide Lysosomal alpha-Glucosidase Stabilizer for the Treatment of Pompe Disease. J.Am.Chem.Soc., 144, 2022
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6DD8
| Structure of mouse SYCP3, P21 form | Descriptor: | Synaptonemal complex protein 3 | Authors: | Rosenberg, S.C, Munoz, I.C, Uson, I, Corbett, K.D. | Deposit date: | 2018-05-09 | Release date: | 2018-08-01 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A conserved filamentous assembly underlies the structure of the meiotic chromosome axis. Elife, 8, 2019
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