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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
Descriptor: (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
Authors:Zhang, X, Chen, Z.
Deposit date:2012-02-18
Release date:2012-06-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, XG005 Heavy chain, ...
Authors:Zhan, W.Q, Zhang, X, Sun, L, Chen, Z.G.
Deposit date:2021-08-07
Release date:2021-10-20
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite: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)
Descriptor: Vacuolating cytotoxin autotransporter
Authors:Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W.
Deposit date:2019-02-11
Release date:2019-03-27
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite: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)
Descriptor: Vacuolating cytotoxin autotransporter
Authors:Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W.
Deposit date:2019-02-11
Release date:2019-03-27
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite: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)
Descriptor: Vacuolating cytotoxin autotransporter
Authors:Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W.
Deposit date:2019-02-11
Release date:2019-03-27
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite: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)
Descriptor: Vacuolating cytotoxin autotransporter
Authors:Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W.
Deposit date:2019-02-11
Release date:2019-03-27
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite: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)
Descriptor: Vacuolating cytotoxin autotransporter
Authors:Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W.
Deposit date:2019-02-11
Release date:2019-03-27
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite: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)
Descriptor: Vacuolating cytotoxin autotransporter
Authors:Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W.
Deposit date:2019-02-11
Release date:2019-03-27
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite: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
Descriptor: 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H.
Deposit date:2016-10-14
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.88 Å)
Cite: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
Descriptor: 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H.
Deposit date:2016-10-14
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: 4-(4-CHLOROPHENYL)IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
Authors:Gay, S.C, Sun, L, Talakad, J.C, Shah, M.B, Stout, D.C, Halpert, J.R.
Deposit date:2009-07-15
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 5-(4-chlorophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide, CALCIUM ION, Collagenase 3, ...
Authors:Farrow, N.A.
Deposit date:2009-07-08
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: CALCIUM ION, Collagenase 3, N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide, ...
Authors:Farrow, N.A, Margarit, S.M.
Deposit date:2009-07-08
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.208 Å)
Cite: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
Descriptor: (1S,2S)-2-methylcyclohexanol, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
Authors:Stout, C.D, Perryman, A.L.
Deposit date:2009-10-27
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 1-benzothiophen-2-ylacetic acid, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
Authors:Stout, C.D.
Deposit date:2009-10-28
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: (1S,2S)-2-methylcyclohexanol, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
Authors:Stout, C.D.
Deposit date:2009-10-27
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase mTOR, ...
Authors:Lau, W.C.Y.
Deposit date:2015-11-03
Release date:2016-11-16
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (28 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, The heavy chain of XG014, ...
Authors:Wang, K, Wang, X, Pan, L.
Deposit date:2021-08-07
Release date:2021-10-20
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite: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
Descriptor: CYANIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Serrano, V.S, Chen, Z, Gaff, J.F, Rose, R, Franzen, S.
Deposit date:2009-11-27
Release date:2010-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.26 Å)
Cite: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
Descriptor: 1H-indole-6-carboxylic acid, BETA-MERCAPTOETHANOL, Protease, ...
Authors:Stout, C.D.
Deposit date:2009-10-27
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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
Descriptor: BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, Protease, ...
Authors:Stout, C.D.
Deposit date:2009-10-27
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite: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
Descriptor: BFA1
Authors:Pu, H, Zhang, L, Duan, Z.K, Peng, L.W, Liu, L.
Deposit date:2017-11-25
Release date:2018-08-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.804 Å)
Cite: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
Descriptor: CYANIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Serrano, V.S, Chen, Z, Gaff, J.F, Rose, R, Franzen, S.
Deposit date:2009-11-27
Release date:2010-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.26 Å)
Cite: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
Descriptor: DNA-dependent RNA polymerase subunit rpo132, DNA-dependent RNA polymerase subunit rpo147, DNA-dependent RNA polymerase subunit rpo18, ...
Authors: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.
Deposit date:2019-04-23
Release date:2019-12-18
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite: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
Descriptor: Calmodulin-1, N-(4-azanyl-1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2
Authors:Ma, D, Guo, J.
Deposit date:2023-11-15
Release date:2024-01-17
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A small-molecule activation mechanism that directly opens the KCNQ2 channel.
Nat.Chem.Biol., 20, 2024

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數據於2024-10-16公開中

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