PDB: 37044 resultsInfo pagesStatus searchChemie searchBIRD

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5KKI	1.7-Angstrom in situ Mylar structure of hen egg-white lysozyme (HEWL) at 100 K Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ACETIC ACID, CHLORIDE ION, ... Authors: Broecker, J, Ernst, O.P. Deposit date: 2016-06-21 Release date: 2017-02-15 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.7 Å) Cite: A Versatile System for High-Throughput In Situ X-ray Screening and Data Collection of Soluble and Membrane-Protein Crystals. Cryst Growth Des, 16, 2016
8JO4	Cryo-EM structure of a Legionella effector complexed with actin and ATP Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... Authors: Zhou, X.T, Wang, X.F, Tan, J.X, Zhu, Y.Q. Deposit date: 2023-06-07 Release date: 2024-05-01 Last modified: 2024-07-24 Method: ELECTRON MICROSCOPY (3.04 Å) Cite: Legionella effector LnaB is a phosphoryl AMPylase that impairs phosphosignalling. Nature, 631, 2024
8JO3	Cryo-EM structure of a Legionella effector complexed with actin and AMP Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... Authors: Zhou, X.T, Wang, X.F, Tan, J.X, Zhu, Y.Q. Deposit date: 2023-06-07 Release date: 2024-05-01 Last modified: 2024-07-24 Method: ELECTRON MICROSCOPY (2.66 Å) Cite: Legionella effector LnaB is a phosphoryl AMPylase that impairs phosphosignalling. Nature, 631, 2024
7MX3	Crystal structure of human RIPK3 complexed with GSK'843 Descriptor: 1,2-ETHANEDIOL, 3-(1,3-benzothiazol-5-yl)-7-(1,3-dimethyl-1H-pyrazol-5-yl)thieno[3,2-c]pyridin-4-amine, Receptor-interacting serine/threonine-protein kinase 3 Authors: Davies, K.A, Czabotar, P.E. Deposit date: 2021-05-18 Release date: 2021-11-24 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (3.23 Å) Cite: Human RIPK3 maintains MLKL in an inactive conformation prior to cell death by necroptosis. Nat Commun, 12, 2021
7UCS	The Crystal Structure of Domain-Swapped Dimer Q108K:T51D:A28C:L36C:F57:H:H:H:R58 Mutant of hCRBPII with Histidine Insertion in the Hinge Loop Region at 1.92 Angstrom Resolution Descriptor: Retinol-binding protein 2 Authors: Ghanbarpour, A, Geiger, J. Deposit date: 2022-03-17 Release date: 2023-10-18 Method: X-RAY DIFFRACTION (1.92 Å) Cite: The Crystal Structure of Domain-Sawpped Dimer Q108K:T51D:A28C:L36C:F57:H:R58 Mutant of hCRBPII with a Histidine Insertion in the Hinge Loop Region at 1.96 Angstrom Resolution To Be Published
6B80	Crystal structure of myotoxin II from Bothrops moojeni complexed to myristic acid Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Basic phospholipase A2 homolog 2, MYRISTIC ACID, ... Authors: Salvador, G.H.M, dos Santos, J.I, Fontes, M.R.M. Deposit date: 2017-10-05 Release date: 2018-10-03 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.949 Å) Cite: Structural evidence for a fatty acid-independent myotoxic mechanism for a phospholipase A2-like toxin. Biochim Biophys Acta Proteins Proteom, 1866, 2018
7UCT	The Crystal Structure of Apo Domain-Swapped Dimer F57:H:H:H:H:H:H:R58 Mutant of HCRBPII with Histidine Insertion in the Hinge Loop Region at 2.5 Angstrom Resolution Descriptor: Retinol-binding protein 2 Authors: Ghanbarpour, A, Geiger, J. Deposit date: 2022-03-17 Release date: 2023-10-18 Method: X-RAY DIFFRACTION (2.52 Å) Cite: The Crystal Structure of Domain-Sawpped Dimer Q108K:T51D:A28C:L36C:F57:H:R58 Mutant of hCRBPII with a Histidine Insertion in the Hinge Loop Region at 1.96 Angstrom Resolution To Be Published
7UD3	The Crystal Structure of Domain-Swapped Dimer Q108K:T51D:A28C:L36C:F57:W:W:W:R58 Mutant of hCRBPII with a Histidine Insertion in the Hinge Loop Region at 2.36 Angstrom Resolution Descriptor: Retinol-binding protein 2 Authors: Ghanbarpour, A, Geiger, J. Deposit date: 2022-03-17 Release date: 2023-10-18 Method: X-RAY DIFFRACTION (2.37 Å) Cite: The Crystal Structure of Domain-Sawpped Dimer Q108K:T51D:A28C:L36C:F57:H:R58 Mutant of hCRBPII with a Histidine Insertion in the Hinge Loop Region at 1.96 Angstrom Resolution To Be Published
7UCV	The Crystal Structure of Apo Domain-Swapped Dimer Q108K:T51D:A28CL36C R58:H:H:H:N59 HCRBPII with Histidine Insertion in the Hinge Loop Region at 2.19 Angstrom Resolution Descriptor: Retinol-binding protein 2 Authors: Ghanbarpour, A, Geiger, J. Deposit date: 2022-03-17 Release date: 2023-10-18 Method: X-RAY DIFFRACTION (2.19 Å) Cite: The Crystal Structure of Domain-Sawpped Dimer Q108K:T51D:A28C:L36C:F57:H:R58 Mutant of hCRBPII with a Histidine Insertion in the Hinge Loop Region at 1.96 Angstrom Resolution To Be Published
5KPK	Glycogen Synthase Kinase 3 beta Complexed with BRD0209 Descriptor: (4~{S})-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta Authors: Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K. Deposit date: 2016-07-04 Release date: 2018-03-14 Last modified: 2018-03-21 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia. Sci Transl Med, 10, 2018
6BD5	Crystal structure of human CYP3A4 bound to an inhibitor Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl (2-{[(2R)-2-(cyclopentylamino)-3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate Authors: Sevrioukova, I. Deposit date: 2017-10-21 Release date: 2017-12-13 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Inhibition of Human CYP3A4 by Rationally Designed Ritonavir-Like Compounds: Impact and Interplay of the Side Group Functionalities. Mol Pharm., 15, 2018
7UCZ	The Crystal Structure of Apo Monomer F57:H:H:H:H:H:H:R58 Mutant of HCRBPII with Histidine Insertion in the Hinge Loop Region at 1.1 Angstrom Resolution Descriptor: Retinol-binding protein 2 Authors: Ghanbarpour, A, Geiger, J. Deposit date: 2022-03-17 Release date: 2023-10-18 Method: X-RAY DIFFRACTION (1.08 Å) Cite: The Crystal Structure of Domain-Sawpped Dimer Q108K:T51D:A28C:L36C:F57:H:R58 Mutant of hCRBPII with a Histidine Insertion in the Hinge Loop Region at 1.96 Angstrom Resolution To Be Published
7UD1	The Crystal Structure of Apo Monomer F57:H:H:H:R58 HCRBPII with Histidine Insertion in the Hinge Loop Region at 1.3 Angstrom Resolution Descriptor: Retinol-binding protein 2 Authors: Ghanbarpour, A, Geiger, J. Deposit date: 2022-03-17 Release date: 2023-10-18 Method: X-RAY DIFFRACTION (1.32 Å) Cite: The Crystal Structure of Apo Monomer F57:H:H:H:R58 HCRBPII with Histidine Insertion in the Hinge Loop Region at 1.3 Angstrom Resolution To Be Published
8EGI	X-ray structure of carbonmonoxy hemoglobin in complex with VZHE039-NO Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... Authors: Donkor, A.K, Musayev, F.N, Safo, M.K. Deposit date: 2022-09-12 Release date: 2022-11-16 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Design, Synthesis, and Investigation of Novel Nitric Oxide (NO)-Releasing Aromatic Aldehydes as Drug Candidates for the Treatment of Sickle Cell Disease. Molecules, 27, 2022
7UCN	The Crystal Structure of Domain-Swapped Dimer Q108K:T51D:A28C:L36C:F57:H:R58 Mutant of hCRBPII with a Histidine Insertion in the Hinge Loop Region at 1.96 Angstrom Resolution Descriptor: Retinol-binding protein 2 Authors: Ghanbarpour, A, Geiger, J. Deposit date: 2022-03-16 Release date: 2023-10-18 Method: X-RAY DIFFRACTION (1.96 Å) Cite: The Crystal Structure of Domain-Sawpped Dimer Q108K:T51D:A28C:L36C:F57:H:R58 Mutant of hCRBPII with a Histidine Insertion in the Hinge Loop Region at 1.96 Angstrom Resolution To Be Published
5KQY	Protease E35D-DRV Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease E35D-DRV Authors: Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. Deposit date: 2016-07-06 Release date: 2016-09-21 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution. J.Biol.Chem., 291, 2016
8JY0	Crystal structure of RhoBAST complexed with TMR-DN Descriptor: 2,4-dinitroaniline, 5-aminocarbonyl-2-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]benzoate, GUANOSINE-5'-DIPHOSPHATE, ... Authors: Zhang, Y, Xiao, Y, Xu, Z, Fang, X. Deposit date: 2023-07-02 Release date: 2024-05-29 Method: X-RAY DIFFRACTION (2.75 Å) Cite: Structural mechanisms for binding and activation of a contact-quenched fluorophore by RhoBAST. Nat Commun, 15, 2024
6BFN	Crystal structure of human IRAK1 Descriptor: Interleukin-1 receptor-associated kinase 1, N-[2-methoxy-4-(morpholin-4-yl)phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide Authors: Wang, L, Qiao, Q, Wu, H. Deposit date: 2017-10-26 Release date: 2017-12-06 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.26 Å) Cite: Crystal structure of human IRAK1. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6B1Q	Hydrogen Bonding Complementary, not size complementarity is key in the formation of the double helix Descriptor: DNA (5'-D(*CP*TP*TP*AP*TP*(CJ1)P*(CJ1)P*(CJ1))-3'), DNA (5'-D(P*(1AP)P*(1AP)P*(1AP)P*AP*TP*AP*AP*G)-3'), Reverse transcriptase Authors: Singh, I, Georgiadis, M.M. Deposit date: 2017-09-18 Release date: 2018-09-19 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.9 Å) Cite: "Skinny" and "Fat" DNA: Two New Double Helices. J. Am. Chem. Soc., 140, 2018
6B36	Crystal Structure of HIV Protease complexed with (S)-N-(3-fluoro-2-(2-(1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide Descriptor: (S)-N-(3-fluoro-2-(2-(1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide, CHLORIDE ION, HIV-1 Protease Authors: Su, H.P. Deposit date: 2017-09-21 Release date: 2018-01-03 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.63 Å) Cite: Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors. ACS Med Chem Lett, 8, 2017
5KTH	Structure of cow mincle complexed with brartemicin Descriptor: 2,4-dihydroxy-6-methyl Benzoic acid, CALCIUM ION, TRIETHYLENE GLYCOL, ... Authors: Feinberg, H, Rambaruth, N.D.S, Jegouzo, S.A.F, Jacobsen, K.M, Djurhuus, R, Poulsen, T.B, Taylor, M.E, Drickamer, K, Weis, W.I. Deposit date: 2016-07-11 Release date: 2016-08-31 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.21 Å) Cite: Binding Sites for Acylated Trehalose Analogs of Glycolipid Ligands on an Extended Carbohydrate Recognition Domain of the Macrophage Receptor Mincle. J.Biol.Chem., 291, 2016
5L2Q	Serine/threonine-protein kinase 40 (STK40) kinase homology domain Descriptor: Serine/threonine-protein kinase 40 Authors: Durzynska, I, Uljon, S, Blacklow, S.C. Deposit date: 2016-08-02 Release date: 2017-02-01 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.53 Å) Cite: STK40 Is a Pseudokinase that Binds the E3 Ubiquitin Ligase COP1. Structure, 25, 2017
5L3H	Re-refinement of 4dd4; cisplatin coordination chemistry determination at hen egg white lysozyme His15 with standard uncertainties Descriptor: AMMONIA, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: Helliwell, J.R, Tanley, S.W.M. Deposit date: 2016-05-06 Release date: 2016-06-15 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Cisplatin coordination chemistry determination at hen egg white lysozyme His15 with ligand distances and angles, and their standard uncertainties, and also reporting a split occupancy effect ArXiv, 2016
6B3C	Crystal Structure of HIV Protease complexed with N-(3-fluoro-2-(2-((2S,6R)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide Descriptor: CHLORIDE ION, HIV-1 Protease, N-(3-fluoro-2-{2-[(2S,5R)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide Authors: Su, H.P. Deposit date: 2017-09-21 Release date: 2018-01-03 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors. ACS Med Chem Lett, 8, 2017
5KU8	Crystal structure of CK2 Descriptor: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... Authors: Ferguson, A.D, Dowling, J. Deposit date: 2016-07-13 Release date: 2017-11-08 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.22 Å) Cite: Crystal structure of CK2 Not Published

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