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6HLD
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BU of 6hld by Molmil
X-ray structure of furin in complex with the cyclic peptide c[succinyl-Phe-2-Nal-(Arg)3-Lys]-Lys-4-Amba
分子名称: ALN-ARG-ARG-ARG-SLL-LYS-00S, CALCIUM ION, CHLORIDE ION, ...
著者Dahms, S.O.
登録日2018-09-11
公開日2019-02-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin.
Chemmedchem, 14, 2019
6PVW
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BU of 6pvw by Molmil
RNase A in complex with cp4pA
分子名称: 2,4,6,8-tetrahydroxy-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocane-2,4,6,8-tetrone, 5'-O-[(R)-hydroxy{[(4R,8S)-4,6,8-trihydroxy-2,4,6,8-tetraoxo-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocan-2-yl]oxy}phosphoryl]adenosine, Ribonuclease pancreatic
著者Windsor, I.W, Sheppard, S.M, Cummins, C.C, Raines, R.T.
登録日2019-07-21
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Nucleoside Tetra- and Pentaphosphates Prepared Using a Tetraphosphorylation Reagent Are Potent Inhibitors of Ribonuclease A.
J.Am.Chem.Soc., 141, 2019
5MWP
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BU of 5mwp by Molmil
The structure of MR in complex with AZD9977.
分子名称: 2-[(3~{S})-7-fluoranyl-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide, Mineralocorticoid receptor, NCOA1 peptide
著者Edman, K, Aagaard, A, Backstrom, S.
登録日2017-01-19
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Preclinical pharmacology of AZD9977: A novel mineralocorticoid receptor modulator separating organ protection from effects on electrolyte excretion.
PLoS ONE, 13, 2018
5MWY
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BU of 5mwy by Molmil
The structure of MR in complex with eplerenone.
分子名称: Mineralocorticoid receptor, NCOA1, eplerenone
著者Edman, K, Aagaard, A, Backstrom, S.
登録日2017-01-20
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Preclinical pharmacology of AZD9977: A novel mineralocorticoid receptor modulator separating organ protection from effects on electrolyte excretion.
PLoS ONE, 13, 2018
7VUS
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BU of 7vus by Molmil
Crystal structure of AlleyCat9 with 5-nitro-benzotriazole
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-nitro-1H-benzotriazole, AlleyCat, ...
著者Tame, J.R.H, Korendovych, I.V, Margheritis, E, Takahashi, K.
登録日2021-11-04
公開日2022-07-27
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献NMR-guided directed evolution.
Nature, 610, 2022
7VUR
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BU of 7vur by Molmil
Crystal structure of AlleyCat9 with calcium but no inhibitor
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, AlleyCat, CALCIUM ION
著者Margheritis, E, Takahashi, K, Korendovych, I.V, Tame, J.R.H.
登録日2021-11-04
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献NMR-guided directed evolution.
Nature, 610, 2022
7VUC
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Myoglobin mutant L29I/H64G/V68A
分子名称: IMIDAZOLE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Takahashi, K, Korendovych, I.V, Tame, J.R.H.
登録日2021-11-02
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献NMR-guided directed evolution.
Nature, 610, 2022
7VUU
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BU of 7vuu by Molmil
Crystal structure of AlleyCat10 with inhibitor
分子名称: 5-nitro-1H-benzotriazole, AlleyCat, CALCIUM ION
著者Tame, J.R.H, Korendovych, I.V, Margheritis, E, Takahashi, K.
登録日2021-11-04
公開日2022-07-27
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献NMR-guided directed evolution.
Nature, 610, 2022
6PTL
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BU of 6ptl by Molmil
Structure of the self-association domain of the chromatin looping factor LDB1
分子名称: LIM domain-binding protein 1
著者Macindoe, I, Silva, A, Guss, J.M, Mackay, J.P, Matthews, J.M.
登録日2019-07-16
公開日2020-07-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the self-association domain of the chromatin looping factor LDB1
To Be Published
7VUT
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BU of 7vut by Molmil
Crystal structure of AlleyCat10
分子名称: AlleyCat10, CALCIUM ION
著者Tame, J.R.H, Korendovych, I.V, Margheritis, E, Takahashi, K.
登録日2021-11-04
公開日2022-07-27
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献NMR-guided directed evolution.
Nature, 610, 2022
6HLB
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BU of 6hlb by Molmil
X-ray structure of furin in complex with the cyclic peptide c[succinyl-Phe-2-Nal-(Arg)4-Lys]-Arg-4-Amba
分子名称: CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Dahms, S.O.
登録日2018-09-11
公開日2019-02-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin.
Chemmedchem, 14, 2019
6PS4
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BU of 6ps4 by Molmil
XFEL beta2 AR structure by ligand exchange from Timolol to ICI-118551.
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-[(1-methylethyl)amino]butan-2-ol, CHOLESTEROL, ...
著者Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C.
登録日2019-07-12
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
6PS8
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BU of 6ps8 by Molmil
XFEL MT1R structure by ligand exchange from agomelatine to 2-phenylmelatonin.
分子名称: Fusion protein of Melatonin receptor type 1A and GlgA glycogen synthase, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide
著者Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C.
登録日2019-07-12
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
7VOA
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BU of 7voa by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with aRBD5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpaca nanobody
著者Ma, H, Zeng, W.H, Jin, T.C.
登録日2021-10-13
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Hetero-bivalent nanobodies provide broad-spectrum protection against SARS-CoV-2 variants of concern including Omicron.
Cell Res., 32, 2022
6HLE
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BU of 6hle by Molmil
X-ray structure of furin in complex with the P6-P2-cyclized peptide H-Lys-Arg-Arg-Tle-Lys-4-Amba
分子名称: 3-[4-(3-oxidanylidenepropyl)piperazin-1-yl]propanal, CALCIUM ION, CHLORIDE ION, ...
著者Dahms, S.O.
登録日2018-09-11
公開日2019-02-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.994 Å)
主引用文献Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin.
Chemmedchem, 14, 2019
8HFY
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BU of 8hfy by Molmil
SARS-CoV-2 Omicron BA.1 spike protein receptor-binding domain in complex with white-tailed deer ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
著者Han, P, Meng, Y.M, Qi, J.X.
登録日2022-11-13
公開日2023-08-30
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Structural basis of white-tailed deer, Odocoileus virginianus , ACE2 recognizing all the SARS-CoV-2 variants of concern with high affinity.
J.Virol., 97, 2023
8HFX
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BU of 8hfx by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.1 spike protein in complex with white-tailed deer ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
著者Han, P, Meng, Y.M, Qi, J.X.
登録日2022-11-13
公開日2023-08-30
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Structural basis of white-tailed deer, Odocoileus virginianus , ACE2 recognizing all the SARS-CoV-2 variants of concern with high affinity.
J.Virol., 97, 2023
8HG0
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BU of 8hg0 by Molmil
Cryo-EM structure of SARS-CoV-2 prototype spike protein receptor-binding domain in complex with white-tailed deer ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1, ...
著者Han, P, Meng, Y.M, Qi, J.X.
登録日2022-11-13
公開日2023-08-30
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (3.51 Å)
主引用文献Structural basis of white-tailed deer, Odocoileus virginianus , ACE2 recognizing all the SARS-CoV-2 variants of concern with high affinity.
J.Virol., 97, 2023
8HFZ
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BU of 8hfz by Molmil
Cryo-EM structure of SARS-CoV-2 prototype spike protein in complex with white-tailed deer ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
著者Han, P, Meng, Y.M, Qi, J.X.
登録日2022-11-13
公開日2023-08-30
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (2.71 Å)
主引用文献Structural basis of white-tailed deer, Odocoileus virginianus , ACE2 recognizing all the SARS-CoV-2 variants of concern with high affinity.
J.Virol., 97, 2023
8GAS
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BU of 8gas by Molmil
vFP48.02 Fab in complex with BG505 DS-SOSIP Env trimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
著者Gorman, J, Kwong, P.D.
登録日2023-02-23
公開日2023-04-19
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (4.04 Å)
主引用文献Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
8G85
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vFP52.02 Fab in complex with BG505 DS-SOSIP Env trimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
著者Gorman, J, Kwong, P.D.
登録日2023-02-17
公開日2023-04-19
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (3.99 Å)
主引用文献Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
8GY0
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BU of 8gy0 by Molmil
Agrocybe pediades linalool sunthase (Ap.LS)
分子名称: Terpene synthase
著者Rehka, T, Sharma, D, Lin, F, Lim, C, Choong, Y.K, Chacko, J, Zhang, C.
登録日2022-09-21
公開日2023-04-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.988 Å)
主引用文献Structural Understanding of Fungal Terpene Synthases for the Formation of Linear or Cyclic Terpene Products.
Acs Catalysis, 13, 2023
8FU7
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BU of 8fu7 by Molmil
Structure of Covid Spike variant deltaN135 in fully closed form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Yu, X, Juraszek, J, Rutten, L, Bakkers, M.J.G, Blokland, S, Van den Broek, N.J.F, Verwilligen, A.Y.W, Abeywickrema, P, Vingerhoets, J, Neefs, J, Bakhash, S.A.M, Roychoudhury, P, Greninger, A, Sharma, S, Langedijk, J.P.M.
登録日2023-01-16
公開日2023-04-05
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Convergence of immune escape strategies highlights plasticity of SARS-CoV-2 spike.
Plos Pathog., 19, 2023
8FU8
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Structure of Covid Spike variant deltaN135 with one erect RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Yu, X, Juraszek, J, Rutten, L, Bakkers, M.J.G, Blokland, S, Van den Broek, N.J.F, Verwilligen, A.Y.W, Abeywickrema, P, Vingerhoets, J, Neefs, J, Bakhash, S.A.M, Roychoudhury, P, Greninger, A, Sharma, S, Langedijk, J.P.M.
登録日2023-01-16
公開日2023-04-05
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Convergence of immune escape strategies highlights plasticity of SARS-CoV-2 spike.
Plos Pathog., 19, 2023
6PS5
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BU of 6ps5 by Molmil
XFEL beta2 AR structure by ligand exchange from Timolol to Propranolol.
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL, CHOLESTEROL, ...
著者Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C.
登録日2019-07-12
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019

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