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5Z7W
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BU of 5z7w by Molmil
Crystal structure of Striga hermonthica HTL1 (ShHTL1)
分子名称: GLYCEROL, Hyposensitive to light 1, MAGNESIUM ION, ...
著者Xu, Y, Miyakawa, T, Nakamura, A, Tanokura, M.
登録日2018-01-30
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.657 Å)
主引用文献Structural analysis of HTL and D14 proteins reveals the basis for ligand selectivity in Striga.
Nat Commun, 9, 2018
6AI6
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BU of 6ai6 by Molmil
Crystal structure of SpCas9-NG
分子名称: 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9/Csn1, DNA (28-MER), ...
著者Nishimasu, H, Hirano, S, Ishitani, R, Nureki, O.
登録日2018-08-21
公開日2018-10-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Engineered CRISPR-Cas9 nuclease with expanded targeting space
Science, 361, 2018
5X7X
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BU of 5x7x by Molmil
The crystal structure of the nucleosome containing H3.3 at 2.18 angstrom resolution
分子名称: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ...
著者Arimura, Y, Taguchi, H, Kurumizaka, H.
登録日2017-02-27
公開日2017-04-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.184 Å)
主引用文献Crystal Structure and Characterization of Novel Human Histone H3 Variants, H3.6, H3.7, and H3.8
Biochemistry, 56, 2017
7YV1
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BU of 7yv1 by Molmil
Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor LUNA18 and KA30L Fab
分子名称: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, KA30L Fab H-chain, ...
著者Irie, M, Fukami, T.A, Matsuo, A, Saka, K, Nishimura, M, Saito, H, Torizawa, T, Tanada, M, Ohta, A.
登録日2022-08-18
公開日2023-07-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.454 Å)
主引用文献Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
6A78
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BU of 6a78 by Molmil
Crystal structure of the fifth immunoglobulin domain (Ig5) of human Robo1 in complex with the scFv fragment of murine monoclonal antibody B5209B
分子名称: Heavy chain and linker region of the anti-human Robo1 antibody B5209B scFv, Light chain region of the anti-human Robo1 antibody B5209B scFv, Roundabout homolog 1, ...
著者Mizohata, E, Nakayama, T, Kado, Y, Inoue, T.
登録日2018-07-02
公開日2019-01-30
最終更新日2019-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Affinity Improvement of a Cancer-Targeted Antibody through Alanine-Induced Adjustment of Antigen-Antibody Interface.
Structure, 27, 2019
8JYM
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BU of 8jym by Molmil
Structure of the SARS-CoV-2 XBB.1.5 spike glycoprotein (closed state 2)
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, Spike glycoprotein
著者Yajima, H, Anraku, Y, Kita, S, Kimura, K, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T.
登録日2023-07-03
公開日2024-01-03
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Virological characteristics of the SARS-CoV-2 XBB.1.5 variant
To Be Published
8JYK
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BU of 8jyk by Molmil
Structure of the SARS-CoV-2 XBB.1.5 spike glycoprotein (closed state 1)
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, Spike glycoprotein
著者Yajima, H, Anraku, Y, Kita, S, Kimura, K, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T.
登録日2023-07-03
公開日2024-01-03
実験手法ELECTRON MICROSCOPY (2.59 Å)
主引用文献Virological characteristics of the SARS-CoV-2 XBB.1.5 variant
To Be Published
8JYP
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BU of 8jyp by Molmil
Structure of SARS-CoV-2 XBB.1.5 spike RBD in complex with 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, Processed angiotensin-converting enzyme 2, ...
著者Yajima, H, Anraku, Y, Kita, S, Kimura, K, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T.
登録日2023-07-03
公開日2024-01-03
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Virological characteristics of the SARS-CoV-2 XBB.1.5 variant
To Be Published
8JYN
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BU of 8jyn by Molmil
Structure of SARS-CoV-2 XBB.1.5 spike glycoprotein in complex with ACE2 (1-up state)
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, Processed angiotensin-converting enzyme 2, ...
著者Yajima, H, Anraku, Y, Kita, S, Kimura, K, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T.
登録日2023-07-03
公開日2024-01-03
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Virological characteristics of the SARS-CoV-2 XBB.1.5 variant
To Be Published
8JYO
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BU of 8jyo by Molmil
Structure of SARS-CoV-2 XBB.1.5 spike glycoprotein in complex with ACE2 (2-up state)
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, Processed angiotensin-converting enzyme 2, ...
著者Yajima, H, Anraku, Y, Kita, S, Kimura, K, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T.
登録日2023-07-03
公開日2024-01-03
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Virological characteristics of the SARS-CoV-2 XBB.1.5 variant
To Be Published
7YUZ
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BU of 7yuz by Molmil
Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP8784
分子名称: AP8784, GUANOSINE-5'-DIPHOSPHATE, IODIDE ION, ...
著者Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T.
登録日2022-08-18
公開日2023-07-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.878 Å)
主引用文献Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
7TLN
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BU of 7tln by Molmil
STRUCTURAL ANALYSIS OF THE INHIBITION OF THERMOLYSIN BY AN ACTIVE-SITE-DIRECTED IRREVERSIBLE INHIBITOR
分子名称: 2-(ACETYL-HYDROXY-AMINO)-4-METHYL-PENTANOIC ACID METHYL ESTER, CALCIUM ION, THERMOLYSIN, ...
著者Matthews, B.W, Holmes, M.A, Tronrud, D.E.
登録日1983-01-27
公開日1983-03-09
最終更新日2022-11-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural analysis of the inhibition of thermolysin by an active-site-directed irreversible inhibitor.
Biochemistry, 22, 1983
7XWA
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BU of 7xwa by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Omicron BA.4/5 variant spike protein in complex with its receptor 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, Processed angiotensin-converting enzyme 2, ...
著者Suzuki, T, Kimura, K, Hashiguchi, T.
登録日2022-05-26
公開日2022-09-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.36 Å)
主引用文献Virological characteristics of the SARS-CoV-2 Omicron BA.2 subvariants, including BA.4 and BA.5.
Cell, 185, 2022
6JLP
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BU of 6jlp by Molmil
XFEL structure of cyanobacterial photosystem II (3F state, dataset2)
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Suga, M, Shen, J.R.
登録日2019-03-06
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
6JLM
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BU of 6jlm by Molmil
XFEL structure of cyanobacterial photosystem II (dark state, dataset2)
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Suga, M, Shen, J.R.
登録日2019-03-06
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
6JLK
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BU of 6jlk by Molmil
XFEL structure of cyanobacterial photosystem II (1F state, dataset1)
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Suga, M, Shen, J.R.
登録日2019-03-06
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
6P4V
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BU of 6p4v by Molmil
1.65 Angstrom ternary complex of Deoxyhypusine synthase with cofactor NAD and spermidine mimic inhibitor GC7
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-GUANIDINIUM-7-AMINOHEPTANE, Deoxyhypusine synthase, ...
著者Klein, M.G, Ambrus-Aikelin, G.
登録日2019-05-28
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery of Novel Allosteric Inhibitors of Deoxyhypusine Synthase.
J.Med.Chem., 63, 2020
6JLO
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BU of 6jlo by Molmil
XFEL structure of cyanobacterial photosystem II (2F state, dataset2)
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Suga, M, Shen, J.R.
登録日2019-03-06
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
6PGR
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BU of 6pgr by Molmil
Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-BROMO-N-(1H-INDOL-4-YL)-1-BENZOTHIOPHENE-2-CARBOXAMIDE
分子名称: 6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide, Deoxyhypusine synthase
著者Klein, M.G, Ambrus-Aikelin, G.
登録日2019-06-24
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of Novel Allosteric Inhibitors of Deoxyhypusine Synthase.
J.Med.Chem., 63, 2020
6JLL
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BU of 6jll by Molmil
XFEL structure of cyanobacterial photosystem II (2F state, dataset1)
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Suga, M, Shen, J.R.
登録日2019-03-06
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
5WQJ
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BU of 5wqj by Molmil
Crystal structure of 3-Mercaptopyruvate Sulfurtransferase(3MST) in complex with compound1
分子名称: 2-[2-[(4-oxidanylidene-3~{H}-quinazolin-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide, SODIUM ION, Sulfurtransferase
著者Suwanai, Y, Toma-Fukai, S, Shimizu, T.
登録日2016-11-27
公開日2017-09-06
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Discovery and Mechanistic Characterization of Selective Inhibitors of H2S-producing Enzyme: 3-Mercaptopyruvate Sulfurtransferase (3MST) Targeting Active-site Cysteine Persulfide
Sci Rep, 7, 2017
6JLJ
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BU of 6jlj by Molmil
XFEL structure of cyanobacterial photosystem II (dark state, dataset1)
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Suga, M, Shen, J.R.
登録日2019-03-06
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
5WQK
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BU of 5wqk by Molmil
Crystal structure of 3-Mercaptopyruvate Sulfurtransferase(3MST) in complex with compound1
分子名称: 4-methyl-2-(2-naphthalen-1-yl-2-oxidanylidene-ethyl)sulfanyl-1~{H}-pyrimidin-6-one, SODIUM ION, Sulfurtransferase
著者Suwanai, Y, Toma-Fukai, S, Shimizu, T.
登録日2016-11-27
公開日2017-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery and Mechanistic Characterization of Selective Inhibitors of H2S-producing Enzyme: 3-Mercaptopyruvate Sulfurtransferase (3MST) Targeting Active-site Cysteine Persulfide
Sci Rep, 7, 2017
6JLN
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BU of 6jln by Molmil
XFEL structure of cyanobacterial photosystem II (1F state, dataset2)
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Suga, M, Shen, J.R.
登録日2019-03-06
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
6GF6
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BU of 6gf6 by Molmil
Molecular basis of egg coat filament cross-linking: high-resolution structure of the partially deglycosylated ZP1 ZP-N1 domain homodimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Zona pellucida sperm-binding protein 1,Zona pellucida sperm-binding protein 1
著者Nishimura, K, Jovine, L.
登録日2018-04-29
公開日2019-06-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular basis of egg coat cross-linking sheds light on ZP1-associated female infertility.
Nat Commun, 10, 2019

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