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6DIL
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BU of 6dil by Molmil
HIV-1 protease with single mutation L76V in complex with tipranavir
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Wong-Sam, A.E, Wang, Y.-F, Weber, I.T.
登録日2018-05-23
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.482 Å)
主引用文献Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease.
ACS Omega, 3, 2018
6B3H
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BU of 6b3h by Molmil
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
分子名称: 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
著者Su, H.P.
登録日2017-09-21
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
4OF9
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BU of 4of9 by Molmil
Structure of K42N variant of sperm whale myoglobin
分子名称: 1,2-ETHANEDIOL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Lebioda, L, Wang, C, Lovelace, L.L.
登録日2014-01-14
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.241 Å)
主引用文献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
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BU of 6dj2 by Molmil
HIV-1 protease with single mutation L76V in complex with Lopinavir
分子名称: 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, ...
著者Wang, Y.-F, Wong-Sam, A.E, Zhang, Y, Weber, I.T.
登録日2018-05-24
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease.
ACS Omega, 3, 2018
6DJN
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BU of 6djn by Molmil
Cryo-EM structure of ADP-Pi-actin filaments
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Chou, S.Z, Pollard, T.D.
登録日2018-05-25
公開日2019-02-27
最終更新日2020-01-08
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献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
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BU of 6kah by Molmil
Crosslinked alpha(Ni)-beta(Fe-CO) human hemoglobin A in the T quaternary structure at 95 K: Dark
分子名称: BUT-2-ENEDIAL, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
著者Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A.
登録日2019-06-23
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Direct observation of ligand migration within human hemoglobin at work.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KAQ
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BU of 6kaq by Molmil
Carbonmonoxy human hemoglobin C in the R quaternary structure at 140 K: Dark
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A.
登録日2019-06-24
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Direct observation of ligand migration within human hemoglobin at work.
Proc.Natl.Acad.Sci.USA, 117, 2020
7VV8
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BU of 7vv8 by Molmil
Crystal Structure of HRasQ61L(GMPPNP-bound) in complex with the Ras-binding domain(RBD) of SIN1
分子名称: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Zheng, Y.Y, Zhou, C.
登録日2021-11-04
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insights into Ras regulation by SIN1.
Proc.Natl.Acad.Sci.USA, 119, 2022
6KAU
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BU of 6kau by Molmil
Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 140 K: Dark
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A.
登録日2019-06-24
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Direct observation of ligand migration within human hemoglobin at work.
Proc.Natl.Acad.Sci.USA, 117, 2020
7E99
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BU of 7e99 by Molmil
Oxy-deoxy intermediate of 400 kDa giant hemoglobin at 13% oxygen saturation
分子名称: Extracellular giant hemoglobin major globin subunit A1, Extracellular giant hemoglobin major globin subunit A2, Extracellular giant hemoglobin major globin subunit B2, ...
著者Numoto, N, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N.
登録日2021-03-03
公開日2021-10-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
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BU of 5x2u by Molmil
Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin after Adding 80 mM phosphate pH 6.7.
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Ohki, M, Park, S.-Y.
登録日2017-02-02
公開日2017-09-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Direct observation of conformational population shifts in crystalline human hemoglobin.
J. Biol. Chem., 292, 2017
6B6S
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BU of 6b6s by Molmil
Orthorhombic trypsin cryocooled to 100 K with 50% ethanol as cryoprotectant
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Juers, D.H.
登録日2017-10-03
公開日2017-11-01
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.0002284 Å)
主引用文献The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
7VLD
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BU of 7vld by Molmil
Oxy-deoxy intermediate of V2 hemoglobin at 69% oxygen saturation
分子名称: CALCIUM ION, Extracellular A1 globin, Extracellular A2 globin, ...
著者Numoto, N, Onoda, S, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N.
登録日2021-10-02
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of oxygen dissociation intermediates of 400 kDa V2 hemoglobin provide coarse snapshots of the protein allostery.
Biophys Physicobio., 19, 2022
6D40
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BU of 6d40 by Molmil
Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma
分子名称: Plasminogen, SULFATE ION, Trypsin inhibitor 1
著者Law, R.H.P, Wu, G.
登録日2018-04-17
公開日2019-01-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma.
J. Med. Chem., 62, 2019
5X40
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BU of 5x40 by Molmil
Structure of a CbiO dimer bound with AMPPCP
分子名称: Cobalt ABC transporter ATP-binding protein, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
著者Bao, Z, Qi, X, Wang, J, Zhang, P.
登録日2017-02-09
公開日2017-04-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure and mechanism of a group-I cobalt energy coupling factor transporter
Cell Res., 27, 2017
7VLF
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BU of 7vlf by Molmil
Oxy-deoxy intermediate of V2 hemoglobin at 26% oxygen saturation
分子名称: CALCIUM ION, Extracellular A1 globin, Extracellular A2 globin, ...
著者Numoto, N, Onoda, S, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N.
登録日2021-10-02
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of oxygen dissociation intermediates of 400 kDa V2 hemoglobin provide coarse snapshots of the protein allostery.
Biophys Physicobio., 19, 2022
6B81
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BU of 6b81 by Molmil
Crystal structure of Myotoxin II from Bothrops moojeni complexed to Caprylic acid
分子名称: Basic phospholipase A2 homolog 2, OCTANOIC ACID (CAPRYLIC ACID), SULFATE ION
著者Salvador, G.H.M, dos Santos, J.I, Fontes, M.R.M.
登録日2017-10-05
公開日2018-10-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural evidence for a fatty acid-independent myotoxic mechanism for a phospholipase A2-like toxin.
Biochim Biophys Acta Proteins Proteom, 1866, 2018
7VLC
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BU of 7vlc by Molmil
Oxy-deoxy intermediate of V2 hemoglobin at 78% oxygen saturation
分子名称: CALCIUM ION, Extracellular A1 globin, Extracellular A2 globin, ...
著者Numoto, N, Onoda, S, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N.
登録日2021-10-02
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of oxygen dissociation intermediates of 400 kDa V2 hemoglobin provide coarse snapshots of the protein allostery.
Biophys Physicobio., 19, 2022
7N1R
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BU of 7n1r by Molmil
A novel and unique ATP hydrolysis to AMP by a human Hsp70 BiP
分子名称: ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, Endoplasmic reticulum chaperone BiP, ...
著者Yang, J, Musayev, F, Liu, Q.
登録日2021-05-28
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献A novel and unique ATP hydrolysis to AMP by a human Hsp70 Binding immunoglobin protein (BiP).
Protein Sci., 31, 2022
7E97
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BU of 7e97 by Molmil
Oxy-deoxy intermediate of 400 kDa giant hemoglobin at 58% oxygen saturation
分子名称: Extracellular giant hemoglobin major globin subunit A1, Extracellular giant hemoglobin major globin subunit A2, Extracellular giant hemoglobin major globin subunit B2, ...
著者Numoto, N, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N.
登録日2021-03-03
公開日2021-10-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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
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BU of 7e98 by Molmil
Oxy-deoxy intermediate of 400 kDa giant hemoglobin at 21% oxygen saturation
分子名称: Extracellular giant hemoglobin major globin subunit A1, Extracellular giant hemoglobin major globin subunit A2, Extracellular giant hemoglobin major globin subunit B2, ...
著者Numoto, N, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N.
登録日2021-03-03
公開日2021-10-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
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BU of 6d3y by Molmil
Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma
分子名称: GLYCEROL, Plasminogen, SULFATE ION, ...
著者Law, R.H.P, Wu, G.
登録日2018-04-17
公開日2019-01-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma.
J. Med. Chem., 62, 2019
7E96
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BU of 7e96 by Molmil
Oxy-deoxy intermediate of 400 kDa giant hemoglobin at 69% oxygen saturation
分子名称: CALCIUM ION, Extracellular giant hemoglobin major globin subunit A1, Extracellular giant hemoglobin major globin subunit A2, ...
著者Numoto, N, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N.
登録日2021-03-03
公開日2021-10-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
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BU of 4oot by Molmil
X-ray structure of the protein-gold adduct formed upon reaction of Aubipic with hen egg white lysozyme
分子名称: 1,2-ETHANEDIOL, GOLD ION, Lysozyme C, ...
著者Merlino, A.
登録日2014-02-04
公開日2014-12-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Protein Recognition of Gold-Based Drugs: 3D Structure of the Complex Formed When Lysozyme Reacts with Aubipy(c.).
ACS Med Chem Lett, 5, 2014
5X94
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BU of 5x94 by Molmil
Crystal structure of SHP2_SH2-CagA EPIYA_D peptide complex
分子名称: Cag pathogenicity island protein, Tyrosine-protein phosphatase non-receptor type 11
著者Senda, M, Senda, T.
登録日2017-03-05
公開日2017-09-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Differential Mechanisms for SHP2 Binding and Activation Are Exploited by Geographically Distinct Helicobacter pylori CagA Oncoproteins.
Cell Rep, 20, 2017

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件を2024-08-07に公開中

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