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6JE9
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BU of 6je9 by Molmil
Crystal structure of Nme1Cas9-sgRNA dimer mediated by double protein inhibitor AcrIIC3 monomers
分子名称: AcrIIC3, CRISPR-associated endonuclease Cas9, sgRNA
著者Sun, W, Yang, J, Cheng, Z, Liu, C, Wang, K, Huang, X, Wang, Y.
登録日2019-02-04
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.46 Å)
主引用文献Structures of Neisseria meningitidis Cas9 Complexes in Catalytically Poised and Anti-CRISPR-Inhibited States.
Mol.Cell, 76, 2019
6YVE
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BU of 6yve by Molmil
Glycogen phosphorylase b in complex with pelargonidin 3-O-beta-D-glucoside
分子名称: DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ...
著者Drakou, C.E, Gardeli, C, Tsialtas, I, Alexopoulos, S, Mallouchos, A, Koulas, S, Tsagkarakou, A, Asimakopoulos, D, Leonidas, D.D, Psarra, A.M, Skamnaki, V.T.
登録日2020-04-28
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Affinity Crystallography Reveals Binding of Pomegranate Juice Anthocyanins at the Inhibitor Site of Glycogen Phosphorylase: The Contribution of a Sugar Moiety to Potency and Its Implications to the Binding Mode.
J.Agric.Food Chem., 68, 2020
4R6R
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BU of 4r6r by Molmil
Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity.
分子名称: 1,2-ETHANEDIOL, 4-nitrophenyl beta-D-galactopyranoside, Agglutinin alpha chain, ...
著者Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M.
登録日2014-08-26
公開日2015-02-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity.
Acta Crystallogr.,Sect.D, 71, 2015
8TUK
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BU of 8tuk by Molmil
Alvinella ASCC1 KH and Phosphodiesterase/Ligase Domain
分子名称: 1,2-ETHANEDIOL, Activating signal cointegrator 1 complex subunit 1, IMIDAZOLE
著者Tsutakawa, S.E, Tainer, J.A, Arvai, A.S, Chinnam, N.B.
登録日2023-08-16
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献ASCC1 structures and bioinformatics reveal a novel helix-clasp-helix RNA-binding motif linked to a two-histidine phosphodiesterase.
J.Biol.Chem., 300, 2024
8TLY
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BU of 8tly by Molmil
Human ASCC1 Phosphodiesterase/Ligase Domain
分子名称: Activating signal cointegrator 1 complex subunit 1
著者Tsutakawa, S.E, Tainer, J.A, Arvai, A.S, Thapar, R.
登録日2023-07-27
公開日2024-07-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献ASCC1 structures and bioinformatics reveal a novel helix-clasp-helix RNA-binding motif linked to a two-histidine phosphodiesterase.
J.Biol.Chem., 300, 2024
7JY0
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BU of 7jy0 by Molmil
Structure of HbA with compound 9
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide, CARBON MONOXIDE, ...
著者Jasti, J.
登録日2020-08-28
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
7JXZ
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BU of 7jxz by Molmil
Structure of HbA with compound (S)-4
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine, CARBON MONOXIDE, ...
著者Jasti, J.
登録日2020-08-28
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
7JY3
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BU of 7jy3 by Molmil
Structure of HbA with compound 23 (PF-07059013)
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one, Hemoglobin subunit alpha, ...
著者Jasti, J.
登録日2020-08-28
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
7JY1
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BU of 7jy1 by Molmil
Structure of HbA with compound 19
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
著者Jasti, J.
登録日2020-08-28
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
6QC0
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BU of 6qc0 by Molmil
PCNA complex with Cdt2 C-terminal PIP-box peptide
分子名称: Denticleless protein homolog, Proliferating cell nuclear antigen
著者Perrakis, A.P, von Castelmur, E.
登録日2018-12-25
公開日2019-01-23
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Direct binding of Cdt2 to PCNA is important for targeting the CRL4Cdt2E3 ligase activity to Cdt1.
Life Sci Alliance, 1, 2018
7NX6
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BU of 7nx6 by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-222 Fab Heavy chain, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NXA
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BU of 7nxa by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 B.1.351 variant Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-222 Fab heavy chain, COVOX-222 Fab light chain, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NX7
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BU of 7nx7 by Molmil
Crystal structure of the K417N mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NXB
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BU of 7nxb by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 P.1 variant Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-222 Fab heavy chain, COVOX-222 Fab light chain, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NX8
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BU of 7nx8 by Molmil
Crystal structure of the K417T mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NXC
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BU of 7nxc by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 P.1 variant Spike glycoprotein in complex with ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NX9
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BU of 7nx9 by Molmil
Crystal structure of the N501Y mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-222 Fab heavy chain, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7ZSO
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BU of 7zso by Molmil
human purine nucleoside phosphorylase in complex with JS-554
分子名称: GLYCEROL, Purine nucleoside phosphorylase, SODIUM ION, ...
著者Djukic, S, Pachl, P, Rezacova, P.
登録日2022-05-07
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
7ZSL
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BU of 7zsl by Molmil
human purine nucleoside phosphorylase in complex with JS-196
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Purine nucleoside phosphorylase, ...
著者Djukic, S, Pachl, P, Rezacova, P.
登録日2022-05-07
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
7ZSM
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BU of 7zsm by Molmil
human purine nucleoside phosphorylase in complex with JS-375
分子名称: CHLORIDE ION, Purine nucleoside phosphorylase, SULFATE ION, ...
著者Djukic, S, Pachl, P, Rezacova, P.
登録日2022-05-07
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
7ZSQ
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BU of 7zsq by Molmil
human purine nucleoside phosphorylase in complex with JS-555
分子名称: 1,2-ETHANEDIOL, 6-tungstotellurate(VI), DI(HYDROXYETHYL)ETHER, ...
著者Djukic, S, Pachl, P, Rezacova, P.
登録日2022-05-08
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
7ZSR
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BU of 7zsr by Molmil
purine nucleoside phosphorylase in complex with JS-379
分子名称: ACETATE ION, Purine nucleoside phosphorylase, [(~{E})-2-[5-bromanyl-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid
著者Djukic, S, Pachl, P, Rezacova, P.
登録日2022-05-08
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
7ZSN
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BU of 7zsn by Molmil
human purine nucleoside phosphorylase in complex with JS-379
分子名称: 6-tungstotellurate(VI), Purine nucleoside phosphorylase, SULFATE ION, ...
著者Djukic, S, Pachl, P, Rezacova, P.
登録日2022-05-07
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
7ZSP
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BU of 7zsp by Molmil
human purine nucleoside phosphorylase in complex with JS-555
分子名称: 6-tungstotellurate(VI), Purine nucleoside phosphorylase, SODIUM ION, ...
著者Djukic, S, Pachl, P, Rezacova, P.
登録日2022-05-08
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
7ORB
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BU of 7orb by Molmil
Crystal structure of the L452R mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-75 and COVOX-253 Fabs
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2021-06-04
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Reduced neutralization of SARS-CoV-2 B.1.617 by vaccine and convalescent serum.
Cell, 184, 2021

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