PDB: 36840 resultsInfo pagesStatus searchChemie searchBIRD

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6DIL	HIV-1 protease with single mutation L76V in complex with tipranavir Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ... Authors: Wong-Sam, A.E, Wang, Y.-F, Weber, I.T. Deposit date: 2018-05-23 Release date: 2018-10-17 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.482 Å) Cite: Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease. ACS Omega, 3, 2018
6B3H	Crystal Structure of HIV Protease complexed with N-(2-(2-((6R,9S)-2,2-dioxido-2-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)ethyl)-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide Descriptor: CHLORIDE ION, HIV-1 Protease, N-(2-{2-[(6R,9S)-2,2-dioxo-2lambda~6~-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl}-3-fluorophenyl)-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 (1.62 Å) Cite: Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors. ACS Med Chem Lett, 8, 2017
4OF9	Structure of K42N variant of sperm whale myoglobin Descriptor: 1,2-ETHANEDIOL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Lebioda, L, Wang, C, Lovelace, L.L. Deposit date: 2014-01-14 Release date: 2014-11-26 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.241 Å) Cite: Structures of K42N and K42Y sperm whale myoglobins point to an inhibitory role of distal water in peroxidase activity. Acta Crystallogr.,Sect.D, 70, 2014
6DJ2	HIV-1 protease with single mutation L76V in complex with Lopinavir Descriptor: CHLORIDE ION, HIV-1 protease, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, ... Authors: Wang, Y.-F, Wong-Sam, A.E, Zhang, Y, Weber, I.T. Deposit date: 2018-05-24 Release date: 2018-10-17 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.36 Å) Cite: Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease. ACS Omega, 3, 2018
6DJN	Cryo-EM structure of ADP-Pi-actin filaments Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... Authors: Chou, S.Z, Pollard, T.D. Deposit date: 2018-05-25 Release date: 2019-02-27 Last modified: 2020-01-08 Method: ELECTRON MICROSCOPY (3.1 Å) Cite: Mechanism of actin polymerization revealed by cryo-EM structures of actin filaments with three different bound nucleotides. Proc.Natl.Acad.Sci.USA, 116, 2019
6KAH	Crosslinked alpha(Ni)-beta(Fe-CO) human hemoglobin A in the T quaternary structure at 95 K: Dark Descriptor: BUT-2-ENEDIAL, CARBON MONOXIDE, Hemoglobin subunit alpha, ... Authors: Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. Deposit date: 2019-06-23 Release date: 2020-02-19 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
6KAQ	Carbonmonoxy human hemoglobin C in the R quaternary structure at 140 K: Dark Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... Authors: Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. Deposit date: 2019-06-24 Release date: 2020-02-19 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
7VV8	Crystal Structure of HRasQ61L(GMPPNP-bound) in complex with the Ras-binding domain(RBD) of SIN1 Descriptor: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... Authors: Zheng, Y.Y, Zhou, C. Deposit date: 2021-11-04 Release date: 2022-05-18 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Structural insights into Ras regulation by SIN1. Proc.Natl.Acad.Sci.USA, 119, 2022
6KAU	Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 140 K: Dark Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... Authors: Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. Deposit date: 2019-06-24 Release date: 2020-02-19 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
7E99	Oxy-deoxy intermediate of 400 kDa giant hemoglobin at 13% oxygen saturation Descriptor: Extracellular giant hemoglobin major globin subunit A1, Extracellular giant hemoglobin major globin subunit A2, Extracellular giant hemoglobin major globin subunit B2, ... Authors: Numoto, N, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N. Deposit date: 2021-03-03 Release date: 2021-10-06 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Coarse snapshots of oxygen-dissociation intermediates of a giant hemoglobin elucidated by determining the oxygen saturation in individual subunits in the crystalline state. Iucrj, 8, 2021
5X2U	Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin after Adding 80 mM phosphate pH 6.7. Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Ohki, M, Park, S.-Y. Deposit date: 2017-02-02 Release date: 2017-09-27 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (2.53 Å) Cite: Direct observation of conformational population shifts in crystalline human hemoglobin. J. Biol. Chem., 292, 2017
6B6S	Orthorhombic trypsin cryocooled to 100 K with 50% ethanol as cryoprotectant Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... Authors: Juers, D.H. Deposit date: 2017-10-03 Release date: 2017-11-01 Last modified: 2020-01-01 Method: X-RAY DIFFRACTION (2.0002284 Å) Cite: The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order. Acta Crystallogr D Struct Biol, 74, 2018
7VLD	Oxy-deoxy intermediate of V2 hemoglobin at 69% oxygen saturation Descriptor: CALCIUM ION, Extracellular A1 globin, Extracellular A2 globin, ... Authors: Numoto, N, Onoda, S, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N. Deposit date: 2021-10-02 Release date: 2022-05-18 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structures of oxygen dissociation intermediates of 400 kDa V2 hemoglobin provide coarse snapshots of the protein allostery. Biophys Physicobio., 19, 2022
6D40	Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma Descriptor: Plasminogen, SULFATE ION, Trypsin inhibitor 1 Authors: Law, R.H.P, Wu, G. Deposit date: 2018-04-17 Release date: 2019-01-23 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.43 Å) Cite: Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma. J. Med. Chem., 62, 2019
7VLF	Oxy-deoxy intermediate of V2 hemoglobin at 26% oxygen saturation Descriptor: CALCIUM ION, Extracellular A1 globin, Extracellular A2 globin, ... Authors: Numoto, N, Onoda, S, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N. Deposit date: 2021-10-02 Release date: 2022-05-18 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structures of oxygen dissociation intermediates of 400 kDa V2 hemoglobin provide coarse snapshots of the protein allostery. Biophys Physicobio., 19, 2022
5X40	Structure of a CbiO dimer bound with AMPPCP Descriptor: Cobalt ABC transporter ATP-binding protein, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER Authors: Bao, Z, Qi, X, Wang, J, Zhang, P. Deposit date: 2017-02-09 Release date: 2017-04-05 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Structure and mechanism of a group-I cobalt energy coupling factor transporter Cell Res., 27, 2017
6B81	Crystal structure of Myotoxin II from Bothrops moojeni complexed to Caprylic acid Descriptor: Basic phospholipase A2 homolog 2, OCTANOIC ACID (CAPRYLIC ACID), SULFATE ION 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 (1.76 Å) Cite: Structural evidence for a fatty acid-independent myotoxic mechanism for a phospholipase A2-like toxin. Biochim Biophys Acta Proteins Proteom, 1866, 2018
7VLC	Oxy-deoxy intermediate of V2 hemoglobin at 78% oxygen saturation Descriptor: CALCIUM ION, Extracellular A1 globin, Extracellular A2 globin, ... Authors: Numoto, N, Onoda, S, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N. Deposit date: 2021-10-02 Release date: 2022-05-18 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structures of oxygen dissociation intermediates of 400 kDa V2 hemoglobin provide coarse snapshots of the protein allostery. Biophys Physicobio., 19, 2022
7N1R	A novel and unique ATP hydrolysis to AMP by a human Hsp70 BiP Descriptor: ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, Endoplasmic reticulum chaperone BiP, ... Authors: Yang, J, Musayev, F, Liu, Q. Deposit date: 2021-05-28 Release date: 2022-01-12 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.03 Å) Cite: A novel and unique ATP hydrolysis to AMP by a human Hsp70 Binding immunoglobin protein (BiP). Protein Sci., 31, 2022
7E97	Oxy-deoxy intermediate of 400 kDa giant hemoglobin at 58% oxygen saturation Descriptor: Extracellular giant hemoglobin major globin subunit A1, Extracellular giant hemoglobin major globin subunit A2, Extracellular giant hemoglobin major globin subunit B2, ... Authors: Numoto, N, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N. Deposit date: 2021-03-03 Release date: 2021-10-06 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Coarse snapshots of oxygen-dissociation intermediates of a giant hemoglobin elucidated by determining the oxygen saturation in individual subunits in the crystalline state. Iucrj, 8, 2021
7E98	Oxy-deoxy intermediate of 400 kDa giant hemoglobin at 21% oxygen saturation Descriptor: Extracellular giant hemoglobin major globin subunit A1, Extracellular giant hemoglobin major globin subunit A2, Extracellular giant hemoglobin major globin subunit B2, ... Authors: Numoto, N, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N. Deposit date: 2021-03-03 Release date: 2021-10-06 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Coarse snapshots of oxygen-dissociation intermediates of a giant hemoglobin elucidated by determining the oxygen saturation in individual subunits in the crystalline state. Iucrj, 8, 2021
6D3Y	Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma Descriptor: GLYCEROL, Plasminogen, SULFATE ION, ... Authors: Law, R.H.P, Wu, G. Deposit date: 2018-04-17 Release date: 2019-01-23 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.32 Å) Cite: Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma. J. Med. Chem., 62, 2019
7E96	Oxy-deoxy intermediate of 400 kDa giant hemoglobin at 69% oxygen saturation Descriptor: CALCIUM ION, Extracellular giant hemoglobin major globin subunit A1, Extracellular giant hemoglobin major globin subunit A2, ... Authors: Numoto, N, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N. Deposit date: 2021-03-03 Release date: 2021-10-06 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Coarse snapshots of oxygen-dissociation intermediates of a giant hemoglobin elucidated by determining the oxygen saturation in individual subunits in the crystalline state. Iucrj, 8, 2021
4OOT	X-ray structure of the protein-gold adduct formed upon reaction of Aubipic with hen egg white lysozyme Descriptor: 1,2-ETHANEDIOL, GOLD ION, Lysozyme C, ... Authors: Merlino, A. Deposit date: 2014-02-04 Release date: 2014-12-17 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Protein Recognition of Gold-Based Drugs: 3D Structure of the Complex Formed When Lysozyme Reacts with Aubipy(c.). ACS Med Chem Lett, 5, 2014
6KHE	Crystal structure of CLK2 in complex with CX-4945 Descriptor: 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Dual specificity protein kinase CLK2 Authors: Lee, J.Y, Yun, J.S, Jin, H, Chang, J.H. Deposit date: 2019-07-15 Release date: 2019-10-02 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Structural Basis for the Selective Inhibition of Cdc2-Like Kinases by CX-4945. Biomed Res Int, 2019, 2019

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