PDB: 223790 resultsInfo pagesStatus searchChemie searchBIRD

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9B9N	Crystal structure of FlcD from Pseudomonas aeruginosa bound to iron (II) and substrate Descriptor: (2R)-2-{[(2Z)-2-(hydroxyimino)ethyl]sulfanyl}butanedioic acid, FE (III) ION, Pyrroloquinoline quinone (Coenzyme PQQ) biosynthesis protein C Authors: Walker, M.E, Grove, T.L, Li, B, Redinbo, M.R. Deposit date: 2024-04-02 Release date: 2024-07-31 Method: X-RAY DIFFRACTION (2.28 Å) Cite: Structural Basis for Methine Excision by a Heme Oxygenase-like Enzyme Acs Cent.Sci., 2024
9NSE	BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, ETHYL-ISOSELENOUREA COMPLEX Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLIC ACID, ... Authors: Li, H, Raman, C.S, Martasek, P, Kral, V, Masters, B.S.S, Poulos, T.L. Deposit date: 1999-01-13 Release date: 2000-10-25 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.24 Å) Cite: Mapping the active site polarity in structures of endothelial nitric oxide synthase heme domain complexed with isothioureas. J.Inorg.Biochem., 81, 2000
9AVT	Structure of TAB2 NZF domain bound to K6 / Lys6-linked diubiquitin Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, SULFATE ION, TGF-beta-activated kinase 1 and MAP3K7-binding protein 2, ... Authors: Michel, M.A, Scutts, S, Komander, D. Deposit date: 2024-03-04 Release date: 2024-07-31 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Structure of TAB2 NZF domain bound to K6 / Lys6-linked diubiquitin To be published
9F4Z	UP1 in complex with Z57040482 Descriptor: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-(2-hydroxyphenyl)acetamide Authors: Dunnett, L, Prischi, F. Deposit date: 2024-04-28 Release date: 2024-05-08 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
9BKW	Crystal structure of a C2 domain from Trichomonas vaginalis Descriptor: XYPPX repeat family protein Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2024-04-29 Release date: 2024-05-08 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Crystal structure of a C2 domain from Trichomonas vaginalis To be published
9B9O	Crystal structure of FlcD from Pseudomonas aeruginosa bond to iron(II) and substrate Descriptor: (2R)-2-{[(2Z)-2-(hydroxyimino)ethyl]sulfanyl}butanedioic acid, FE (II) ION, Pyrroloquinoline quinone (Coenzyme PQQ) biosynthesis protein C Authors: Walker, M.E, Grove, T.L, Li, B, Redinbo, M.R. Deposit date: 2024-04-02 Release date: 2024-07-31 Method: X-RAY DIFFRACTION (2.16 Å) Cite: Structural Basis for Methine Excision by a Heme Oxygenase-like Enzyme Acs Cent.Sci., 2024
9F55	UP1 in complex with Z235361315 Descriptor: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(3-azanyl-2-methyl-phenyl)propanamide Authors: Dunnett, L, Prischi, F. Deposit date: 2024-04-28 Release date: 2024-05-08 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
8P5R	Crystal structure of full-length, homohexameric 2-oxoglutarate dehydrogenase KGD from Mycobacterium smegmatis in complex with GarA Descriptor: CALCIUM ION, Glycogen accumulation regulator GarA, MAGNESIUM ION, ... Authors: Wagner, T, Mechaly, A.M, Alzari, P.M, Bellinzoni, M. Deposit date: 2023-05-24 Release date: 2023-08-16 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (4.562 Å) Cite: High resolution cryo-EM and crystallographic snapshots of the actinobacterial two-in-one 2-oxoglutarate dehydrogenase. Nat Commun, 14, 2023
9F4F	UP1 in complex with Z86417414 Descriptor: 2-fluoranyl-~{N}-(1,3,4-thiadiazol-2-yl)benzamide, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed Authors: Dunnett, L, Prischi, F. Deposit date: 2024-04-27 Release date: 2024-05-08 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
9AUL	Structure of SARS-CoV-2 Mpro mutant (A173V,T304I)) in complex with Nirmatrelvir (PF-07321332) Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 Authors: Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. Deposit date: 2024-02-29 Release date: 2024-08-07 Method: X-RAY DIFFRACTION (2.421 Å) Cite: In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance. Sci Adv, 10, 2024
8XBG	Human GPR34 -Gi complex bound to S3E-LysoPS, receptor focused Descriptor: (2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[(~{Z})-octadec-9-enoyl]oxy-propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid, Probable G-protein coupled receptor 34 Authors: Kawahara, R, Shihoya, W, Nureki, O. Deposit date: 2023-12-06 Release date: 2024-05-15 Method: ELECTRON MICROSCOPY (3.43 Å) Cite: Structural basis for lysophosphatidylserine recognition by GPR34. Nat Commun, 15, 2024
9HVP	Design, activity and 2.8 Angstroms crystal structure of a C2 symmetric inhibitor complexed to HIV-1 protease Descriptor: HIV-1 Protease, benzyl [(1R,4S,6S,9R)-4,6-dibenzyl-5-hydroxy-1,9-bis(1-methylethyl)-2,8,11-trioxo-13-phenyl-12-oxa-3,7,10-triazatridec-1-yl]carbamate Authors: Neidhart, D.J, Erickson, J. Deposit date: 1990-11-06 Release date: 1992-04-15 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Design, activity, and 2.8 A crystal structure of a C2 symmetric inhibitor complexed to HIV-1 protease. Science, 249, 1990
8XIG	The crystal structure of the AEP domain of MPXV E5 Descriptor: MAGNESIUM ION, PYROPHOSPHATE, Uncoating factor OPG117 Authors: Gan, J, Zhang, W. Deposit date: 2023-12-19 Release date: 2024-05-01 Last modified: 2024-07-10 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Structural and functional insights into the helicase protein E5 of Mpox virus. Cell Discov, 10, 2024
8XDT	O-methyltransferase from Lycoris longituba M52T variant complexed with Mg and SAH Descriptor: MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, norbelladine O-methyltransferase Authors: Saw, Y.Y.H, Nakashima, Y, Morita, H. Deposit date: 2023-12-11 Release date: 2024-08-07 Method: X-RAY DIFFRACTION (2.65 Å) Cite: Structure-Based Catalytic Mechanism of Amaryllidaceae O-Methyltransferases Acs Catalysis, 2024
9F4O	UP1 in complex with Z991506900 Descriptor: (3~{R})-3-methyl-1-(6-methylpyridin-2-yl)piperazine, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed Authors: Dunnett, L, Prischi, F. Deposit date: 2024-04-28 Release date: 2024-05-08 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
9F4Y	UP1 in complex with Z90120418 Descriptor: 1-(3,4,5-trimethoxyphenyl)methanamine, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed Authors: Dunnett, L, Prischi, F. Deposit date: 2024-04-28 Release date: 2024-05-08 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
9EO5	X-ray structure of the adduct formed upon reaction of picoplatin with bovine pancreatic ribonuclease (structure C) Descriptor: AMMONIA, PLATINUM (II) ION, Ribonuclease pancreatic Authors: Ferraro, G, Merlino, A. Deposit date: 2024-03-14 Release date: 2024-05-22 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (1.99 Å) Cite: Picoplatin binding to proteins: X-ray structures and mass spectrometry data on the adducts with lysozyme and ribonuclease A. Dalton Trans, 53, 2024
9F5E	UP1 in complex with Z30820160 Descriptor: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-(4-methyl-1,3-thiazol-2-yl)propanamide Authors: Dunnett, L, Prischi, F. Deposit date: 2024-04-28 Release date: 2024-05-08 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
8ZFW	norbelladine 4'-O-methyltransferase S52T Y186F complexed with Mg and SAH Descriptor: GLYCEROL, MAGNESIUM ION, Norbelladine, ... Authors: Saw, Y.Y.H, Nakashima, Y, Morita, H. Deposit date: 2024-05-08 Release date: 2024-08-07 Method: X-RAY DIFFRACTION (2.18 Å) Cite: Structure-Based Catalytic Mechanism of Amaryllidaceae O-Methyltransferases Acs Catalysis, 2024
9WGA	2.2 ANGSTROMS RESOLUTION STRUCTURE ANALYSIS OF TWO REFINED N-ACETYLNEURAMINYLLACTOSE-WHEAT GERM AGGLUTININ ISOLECTIN COMPLEXES Descriptor: WHEAT GERM LECTIN Authors: Wright, C.S. Deposit date: 1990-04-20 Release date: 1990-10-15 Last modified: 2019-12-25 Method: X-RAY DIFFRACTION (1.8 Å) Cite: 2.2 A resolution structure analysis of two refined N-acetylneuraminyl-lactose--wheat germ agglutinin isolectin complexes. J.Mol.Biol., 215, 1990
9BUV	Crystal structure of Cry1Fa R226Q Descriptor: Pesticidal crystal protein Cry1Fa Authors: Poland, B.W, Kakani, K, Yamamoto, T. Deposit date: 2024-05-17 Release date: 2024-05-29 Method: X-RAY DIFFRACTION (2.024 Å) Cite: Crystal structure of Cry1Fa R226Q To Be Published
8XCG	Tail tip complex of bacteriophage lambda in the open state Descriptor: IRON/SULFUR CLUSTER, Tail tip assembly protein I, Tail tip protein L, ... Authors: Ge, X.F, Wang, J.W. Deposit date: 2023-12-09 Release date: 2024-05-01 Last modified: 2024-05-29 Method: ELECTRON MICROSCOPY (3.46 Å) Cite: Structural mechanism of bacteriophage lambda tail's interaction with the bacterial receptor. Nat Commun, 15, 2024
9EZ8	Cryo-EM structure of the icosahedral lumazine synthase from Vicia faba. Descriptor: 6,7-dimethyl-8-ribityllumazine synthase Authors: Chee, M, Trapani, S, Hoh, F, Lai Kee Him, J, Yvon, M, Blanc, S, Bron, P. Deposit date: 2024-04-11 Release date: 2024-05-22 Method: ELECTRON MICROSCOPY (2.7 Å) Cite: Cryo-EM structure of the icosahedral lumazine synthase from Vicia faba. To Be Published
8YC0	T cell receptor V delta2 V gamma9 in GDN Descriptor: CHOLESTEROL, T cell receptor delta variable 2,T cell receptor delta constant, T cell receptor gamma variable 9,T cell receptor gamma constant 1, ... Authors: Xin, W, Huang, B, Chi, X, Xu, M, Zhang, Y, Li, X, Su, Q, Zhou, Q. Deposit date: 2024-02-17 Release date: 2024-05-08 Last modified: 2024-06-19 Method: ELECTRON MICROSCOPY (4.12 Å) Cite: Structures of human gamma delta T cell receptor-CD3 complex. Nature, 630, 2024
9F4K	UP1 in complex with ZINC72259689 Descriptor: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(cyclobutylmethyl)-1,3-dimethyl-pyrazole-4-carboxamide Authors: Dunnett, L, Prischi, F. Deposit date: 2024-04-28 Release date: 2024-05-08 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published

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