8IBY
 
 | | Structure of R2 with 5'ORF | | Descriptor: | 5'ORF RNA, Reverse transcriptase-like protein, ZINC ION | | Authors: | Deng, P, Tan, S, Wang, J, Liu, J.J. | | Deposit date: | 2023-02-10 | | Release date: | 2023-09-20 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | Structural RNA components supervise the sequential DNA cleavage in R2 retrotransposon.
Cell, 186, 2023
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5BPN
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5BN8
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5BV5
 | | Structure of CYP119 with T213A and C317H mutations | | Descriptor: | 4-PHENYL-1H-IMIDAZOLE, Cytochrome P450 119, PHOSPHATE ION, ... | | Authors: | Buller, A.R, Heel, T, McIntosh, J.A, Arnold, F.H. | | Deposit date: | 2015-06-04 | | Release date: | 2016-02-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Adaptability Facilitates Histidine Heme Ligation in a Cytochrome P450.
J.Am.Chem.Soc., 137, 2015
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5BN9
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5BPO
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8JPS
 | | Structure of Duffy Antigen Receptor for Chemokines (DARC)/ACKR1 in complex with the chemokine, CCL7 (Composite map) | | Descriptor: | Atypical chemokine receptor 1, C-C motif chemokine 7 | | Authors: | Banerjee, R, Khanppnavar, B, Maharana, J, Saha, S, Korkhov, V.M, Shukla, A.K. | | Deposit date: | 2023-06-12 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (3.65 Å) | | Cite: | Molecular mechanism of distinct chemokine engagement and functional divergence of the human Duffy antigen receptor.
Cell, 2024
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8K8M
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5CU9
 | | CANDIDA ALBICANS SUPEROXIDE DISMUTASE 5 (SOD5), APO | | Descriptor: | Cell surface Cu-only superoxide dismutase 5, SULFATE ION | | Authors: | Waninger-Saroni, J.J, Taylor, A.B, Hart, P.J, Galaleldeen, A. | | Deposit date: | 2015-07-24 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | CANDIDA ALBICANS SUPEROXIDE DISMUTASE 5 (SOD5), APO
To Be Published
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8OY2
 | | Human cyclin-dependent kinase 2 in complex with inhibitor HB-29260 | | Descriptor: | (1S,2S,11aS)-1-methoxy-1,4,7,10-tetramethyl-2,9-bis(oxidanyl)-2,11a-dihydrobenzo[b][1,4]benzodioxepine-3,6-dione, Cyclin-dependent kinase 2, GLYCEROL | | Authors: | Kordes, S, Harvey, C.J.B. | | Deposit date: | 2023-05-03 | | Release date: | 2023-11-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.618 Å) | | Cite: | Resistance gene-guided genome mining reveals the roseopurpurins as inhibitors of cyclin-dependent kinases.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5D77
 | | Structure of Mip6 RRM3 Domain | | Descriptor: | CITRIC ACID, NITRATE ION, RNA-binding protein MIP6, ... | | Authors: | Mohamad, N, Bravo, J. | | Deposit date: | 2015-08-13 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure of Mip6 RRM3 domain at 1.3
To Be Published
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8P08
 | | Crystal structure of human CLK1 in complex with Leucettinib-21 | | Descriptor: | (4~{Z})-4-(1,3-benzothiazol-6-ylmethylidene)-2-[[(2~{R})-1-methoxy-4-methyl-pentan-2-yl]amino]-1~{H}-imidazol-5-one, Dual specificity protein kinase CLK1 | | Authors: | Kraemer, A, Schroeder, M, Meijer, L, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-05-09 | | Release date: | 2023-05-17 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Chemical, Biochemical, Cellular, and Physiological Characterization of Leucettinib-21, a Down Syndrome and Alzheimer's Disease Drug Candidate.
J.Med.Chem., 66, 2023
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8P05
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with Leucettinib-92 | | Descriptor: | (4~{Z})-2-(1-adamantylamino)-4-(1,3-benzothiazol-6-ylmethylidene)-1~{H}-imidazol-5-one, Casein kinase II subunit alpha, SULFATE ION | | Authors: | Kraemer, A, Meijer, L, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-05-09 | | Release date: | 2023-05-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Leucettinibs, a Class of DYRK/CLK Kinase Inhibitors Inspired by the Marine Sponge Natural Product Leucettamine B.
J.Med.Chem., 66, 2023
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8P07
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((3-(4H-1,2,4-triazol-4-yl)phenyl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile | | Descriptor: | 1,2-ETHANEDIOL, 7-(cyclopropylamino)-5-[[3-(1,2,4-triazol-4-yl)phenyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, ... | | Authors: | Kraemer, A, Ong, H.W, Yang, X, Bown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-05-09 | | Release date: | 2023-05-17 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | More than an Amide Bioisostere: Discovery of 1,2,4-Triazole-containing Pyrazolo[1,5- a ]pyrimidine Host CSNK2 Inhibitors for Combatting beta-Coronavirus Replication.
J.Med.Chem., 67, 2024
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8P04
 | | Crystal structure of human CLK1 in complex with Leucettinib-92 | | Descriptor: | (4~{Z})-2-(1-adamantylamino)-4-(1,3-benzothiazol-6-ylmethylidene)-1~{H}-imidazol-5-one, Dual specificity protein kinase CLK1 | | Authors: | Kraemer, A, Schroeder, M, Meijer, L, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-05-09 | | Release date: | 2023-05-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Leucettinibs, a Class of DYRK/CLK Kinase Inhibitors Inspired by the Marine Sponge Natural Product Leucettamine B.
J.Med.Chem., 66, 2023
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5DR0
 | | Endothiapepsin in complex with fragment 203 | | Descriptor: | 1,2-ETHANEDIOL, 5-(methylsulfanyl)-4-(propan-2-ylsulfonyl)-1H-pyrazol-3-amine, ACETATE ION, ... | | Authors: | Schiebel, J, Heine, A, Klebe, G. | | Deposit date: | 2015-09-15 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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5DQ4
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5DQN
 | | Polyethylene 600-bound form of P450 CYP125A3 mutant from Myobacterium Smegmatis - W83Y | | Descriptor: | CITRIC ACID, Cytochrome P450 CYP125, PENTAETHYLENE GLYCOL, ... | | Authors: | Ortiz de Montellano, P.J, Frank, D.J, Waddling, C.A. | | Deposit date: | 2015-09-15 | | Release date: | 2015-11-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.262 Å) | | Cite: | Cytochrome P450 125A4, the Third Cholesterol C-26 Hydroxylase from Mycobacterium smegmatis.
Biochemistry, 54, 2015
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8OMT
 | | X-ray structure of lysozyme obtained upon reaction with [VIVO(empp)2] (Structure C) | | Descriptor: | 1-methyl-2-ethyl-3-hydroxy-4(1H)-pyridinone)V(IV)O4, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lysozyme C, ... | | Authors: | Paolillo, M, Merlino, A, Ferraro, G. | | Deposit date: | 2023-03-31 | | Release date: | 2023-06-07 | | Method: | X-RAY DIFFRACTION (1.097 Å) | | Cite: | Implications of Protein Interaction in the Speciation of Potential V IV O-Pyridinone Drugs.
Inorg.Chem., 62, 2023
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8OM8
 | | X-ray structure of lysozyme obtained upon reaction with [VIVO(empp)2] (Structure A) | | Descriptor: | 1-methyl-2-ethyl-3-hydroxy-4(1H)-pyridinone)V(IV)O4, ACETATE ION, CHLORIDE ION, ... | | Authors: | Paolillo, M, Ferraro, G, Merlino, A. | | Deposit date: | 2023-03-31 | | Release date: | 2023-06-07 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Implications of Protein Interaction in the Speciation of Potential V IV O-Pyridinone Drugs.
Inorg.Chem., 62, 2023
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8ONV
 | | KRAS-G13D in complex with BI-2493 | | Descriptor: | (7~{S})-2'-azanyl-3-[2-[(2~{S})-2-methylpiperazin-1-yl]pyrimidin-4-yl]spiro[5,6-dihydro-4~{H}-1,2-benzoxazole-7,4'-6,7-dihydro-5~{H}-1-benzothiophene]-3'-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | | Authors: | Boettcher, J, Herdeis, L. | | Deposit date: | 2023-04-04 | | Release date: | 2023-06-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth.
Nature, 619, 2023
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8OMS
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8OQC
 | | Dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (1 h soaking) | | Descriptor: | CHLORIDE ION, FORMIC ACID, Ribonuclease pancreatic, ... | | Authors: | Loreto, D, Merlino, A, Maity, B, Ueno, T. | | Deposit date: | 2023-04-12 | | Release date: | 2023-06-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Cross-Linked Crystals of Dirhodium Tetraacetate/RNase A Adduct Can Be Used as Heterogeneous Catalysts.
Inorg.Chem., 62, 2023
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8OQG
 | | Cross-linked crystal of dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (high temperature data collection) | | Descriptor: | CHLORIDE ION, FORMIC ACID, Ribonuclease pancreatic, ... | | Authors: | Loreto, D, Merlino, A, Maity, B, Ueno, T. | | Deposit date: | 2023-04-12 | | Release date: | 2023-06-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Cross-Linked Crystals of Dirhodium Tetraacetate/RNase A Adduct Can Be Used as Heterogeneous Catalysts.
Inorg.Chem., 62, 2023
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8P7J
 | | Crystal structure of MAP2K6 with a covalent compound GCL96 | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 6, N-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide | | Authors: | Wang, G.Q, Seidler, N, Roehm, S, Gehringer, M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-05-30 | | Release date: | 2023-07-05 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of MAP2K6 with a covalent compound GCL96
To Be Published
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