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4DSC
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BU of 4dsc by Molmil
Complex structure of abscisic acid receptor PYL3 with (+)-ABA in spacegroup of H32 at 1.95A
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL3, MAGNESIUM ION
著者Zhang, X, Chen, Z.
登録日2012-02-18
公開日2012-06-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal a Unique Regulatory Mechanism
Structure, 20, 2012
7V26
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BU of 7v26 by Molmil
XG005-bound SARS-CoV-2 S
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, XG005 Heavy chain, ...
著者Zhan, W.Q, Zhang, X, Sun, L, Chen, Z.G.
登録日2021-08-07
公開日2021-10-20
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.85 Å)
主引用文献An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope.
Protein Cell, 13, 2022
6NYG
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BU of 6nyg by Molmil
Helicobacter pylori Vacuolating Cytotoxin A Oligomeric Assembly 2a (OA-2a)
分子名称: Vacuolating cytotoxin autotransporter
著者Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W.
登録日2019-02-11
公開日2019-03-27
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM structures ofHelicobacter pylorivacuolating cytotoxin A oligomeric assemblies at near-atomic resolution.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6NYF
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BU of 6nyf by Molmil
Helicobacter pylori Vacuolating Cytotoxin A Oligomeric Assembly 1 (OA-1)
分子名称: Vacuolating cytotoxin autotransporter
著者Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W.
登録日2019-02-11
公開日2019-03-27
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structures ofHelicobacter pylorivacuolating cytotoxin A oligomeric assemblies at near-atomic resolution.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6NYM
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BU of 6nym by Molmil
Helicobacter pylori Vacuolating Cytotoxin A Oligomeric Assembly 2d (OA-2d)
分子名称: Vacuolating cytotoxin autotransporter
著者Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W.
登録日2019-02-11
公開日2019-03-27
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structures ofHelicobacter pylorivacuolating cytotoxin A oligomeric assemblies at near-atomic resolution.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6NYJ
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BU of 6nyj by Molmil
Helicobacter pylori Vacuolating Cytotoxin A Oligomeric Assembly 2b (OA-2b)
分子名称: Vacuolating cytotoxin autotransporter
著者Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W.
登録日2019-02-11
公開日2019-03-27
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structures ofHelicobacter pylorivacuolating cytotoxin A oligomeric assemblies at near-atomic resolution.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6NYL
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BU of 6nyl by Molmil
Helicobacter pylori Vacuolating Cytotoxin A Oligomeric Assembly 2c (OA-2c)
分子名称: Vacuolating cytotoxin autotransporter
著者Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W.
登録日2019-02-11
公開日2019-03-27
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-EM structures ofHelicobacter pylorivacuolating cytotoxin A oligomeric assemblies at near-atomic resolution.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6NYN
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BU of 6nyn by Molmil
Helicobacter pylori Vacuolating Cytotoxin A Oligomeric Assembly 2e (OA-2e)
分子名称: Vacuolating cytotoxin autotransporter
著者Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W.
登録日2019-02-11
公開日2019-03-27
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structures ofHelicobacter pylorivacuolating cytotoxin A oligomeric assemblies at near-atomic resolution.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5H25
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BU of 5h25 by Molmil
EED in complex with PRC2 allosteric inhibitor compound 11
分子名称: 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-14
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017
5H24
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BU of 5h24 by Molmil
EED in complex with PRC2 allosteric inhibitor compound 8
分子名称: 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-14
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017
3IBD
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BU of 3ibd by Molmil
Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole
分子名称: 4-(4-CHLOROPHENYL)IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
著者Gay, S.C, Sun, L, Talakad, J.C, Shah, M.B, Stout, D.C, Halpert, J.R.
登録日2009-07-15
公開日2010-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole at 2.0-A resolution.
Mol.Pharmacol., 77, 2010
3I7G
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BU of 3i7g by Molmil
MMP-13 in complex with a non zinc-chelating inhibitor
分子名称: 5-(4-chlorophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide, CALCIUM ION, Collagenase 3, ...
著者Farrow, N.A.
登録日2009-07-08
公開日2009-09-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Improving potency and selectivity of a new class of non-Zn-chelating MMP-13 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3I7I
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BU of 3i7i by Molmil
MMP-13 in complex with a non zinc-chelating inhibitor
分子名称: CALCIUM ION, Collagenase 3, N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide, ...
著者Farrow, N.A, Margarit, S.M.
登録日2009-07-08
公開日2009-09-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.208 Å)
主引用文献Improving potency and selectivity of a new class of non-Zn-chelating MMP-13 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3KF0
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BU of 3kf0 by Molmil
HIV Protease with fragment 4D9 bound
分子名称: (1S,2S)-2-methylcyclohexanol, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
著者Stout, C.D, Perryman, A.L.
登録日2009-10-27
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
3KFS
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BU of 3kfs by Molmil
HIV Protease (PR) dimer with inhibitor TL-3 bound and fragment 2F4 in the outside/top of flap
分子名称: 1-benzothiophen-2-ylacetic acid, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
著者Stout, C.D.
登録日2009-10-28
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
3KFN
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BU of 3kfn by Molmil
HIV Protease (PR) with inhibitor TL-3 and fragment hit 4D9 by soaking
分子名称: (1S,2S)-2-methylcyclohexanol, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
著者Stout, C.D.
登録日2009-10-27
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
3JBZ
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BU of 3jbz by Molmil
Crystal structure of mTOR docked into EM map of dimeric ATM kinase
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase mTOR, ...
著者Lau, W.C.Y.
登録日2015-11-03
公開日2016-11-16
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (28 Å)
主引用文献Structure of the human dimeric ATM kinase.
Cell Cycle, 15, 2016
7V2A
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BU of 7v2a by Molmil
SARS-CoV-2 Spike trimer in complex with XG014 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, The heavy chain of XG014, ...
著者Wang, K, Wang, X, Pan, L.
登録日2021-08-07
公開日2021-10-20
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope.
Protein Cell, 13, 2022
3KUO
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BU of 3kuo by Molmil
X-ray structure of the metcyano form of dehaloperoxidase from amphitrite ornata: evidence for photoreductive lysis of iron-cyanide bond
分子名称: CYANIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Serrano, V.S, Chen, Z, Gaff, J.F, Rose, R, Franzen, S.
登録日2009-11-27
公開日2010-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献X-ray structure of the metcyano form of dehaloperoxidase from Amphitrite ornata: evidence for photoreductive dissociation of the iron-cyanide bond.
Acta Crystallogr.,Sect.D, 66, 2010
3KFR
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BU of 3kfr by Molmil
HIV Protease (PR) dimer with inhibitor TL-3 bound and fragment 1F1 in the outside/top of flap
分子名称: 1H-indole-6-carboxylic acid, BETA-MERCAPTOETHANOL, Protease, ...
著者Stout, C.D.
登録日2009-10-27
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
3KFP
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BU of 3kfp by Molmil
HIV Protease (PR) with inhibitor TL-3 bound, and DMSOs in exo site
分子名称: BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, Protease, ...
著者Stout, C.D.
登録日2009-10-27
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
5YVF
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BU of 5yvf by Molmil
Crystal structure of BFA1
分子名称: BFA1
著者Pu, H, Zhang, L, Duan, Z.K, Peng, L.W, Liu, L.
登録日2017-11-25
公開日2018-08-08
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.804 Å)
主引用文献Nucleus-Encoded Protein BFA1 Promotes Efficient Assembly of the Chloroplast ATP Synthase Coupling Factor 1.
Plant Cell, 30, 2018
3KUN
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BU of 3kun by Molmil
X-ray structure of the metcyano form of dehaloperoxidase from amphitrite ornata: evidence for photoreductive lysis of iron-cyanide bond
分子名称: CYANIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Serrano, V.S, Chen, Z, Gaff, J.F, Rose, R, Franzen, S.
登録日2009-11-27
公開日2010-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献X-ray structure of the metcyano form of dehaloperoxidase from Amphitrite ornata: evidence for photoreductive dissociation of the iron-cyanide bond.
Acta Crystallogr.,Sect.D, 66, 2010
6RIC
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BU of 6ric by Molmil
Structure of the core Vaccinia Virus DNA-dependent RNA polymerase complex
分子名称: DNA-dependent RNA polymerase subunit rpo132, DNA-dependent RNA polymerase subunit rpo147, DNA-dependent RNA polymerase subunit rpo18, ...
著者Grimm, C, Hillen, H.S, Bedenk, K, Bartuli, J, Neyer, S, Zhang, Q, Huettenhofer, A, Erlacher, M, Dienemann, C, Schlosser, A, Urlaub, H, Boettcher, B, Szalay, A, Cramer, P, Fischer, U.
登録日2019-04-23
公開日2019-12-18
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural Basis of Poxvirus Transcription: Transcribing and Capping Vaccinia Complexes.
Cell, 179, 2019
8X43
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BU of 8x43 by Molmil
human KCNQ2-CaM-Ebio1-S1 complex in the presence of PIP2
分子名称: Calmodulin-1, N-(4-azanyl-1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2
著者Ma, D, Guo, J.
登録日2023-11-15
公開日2024-01-17
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A small-molecule activation mechanism that directly opens the KCNQ2 channel.
Nat.Chem.Biol., 20, 2024

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