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6A3A
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BU of 6a3a by Molmil
MVM NES mutant Nm2 in complex with CRM1-Ran-RanBP1
Descriptor: 1,2-ETHANEDIOL, Exportin-1, GLYCEROL, ...
Authors:Sun, Q, Li, Y.
Deposit date:2018-06-15
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cancer Therapy with Nanoparticle-Medicated Intracellular Expression of Peptide CRM1-Inhibitor.
Int J Nanomedicine, 16, 2021
6A3E
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BU of 6a3e by Molmil
MVM NES mutant Nm15 in complex with CRM1-Ran-RanBP1
Descriptor: Exportin-1, GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Sun, Q, Li, Y.
Deposit date:2018-06-15
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Cancer Therapy with Nanoparticle-Medicated Intracellular Expression of Peptide CRM1-Inhibitor.
Int J Nanomedicine, 16, 2021
6A3B
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BU of 6a3b by Molmil
MVM NES mutant Nm13 in complex with CRM1-Ran-RanBP1
Descriptor: 1,2-ETHANEDIOL, Exportin-1, GLYCEROL, ...
Authors:Sun, Q, Li, Y.
Deposit date:2018-06-15
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Cancer Therapy with Nanoparticle-Medicated Intracellular Expression of Peptide CRM1-Inhibitor.
Int J Nanomedicine, 16, 2021
6A38
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BU of 6a38 by Molmil
MVM NS2 NES in complex with CRM1-Ran-RanBP1
Descriptor: 1,2-ETHANEDIOL, Exportin-1, GLYCEROL, ...
Authors:Sun, Q, Li, Y.
Deposit date:2018-06-15
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Cancer Therapy with Nanoparticle-Medicated Intracellular Expression of Peptide CRM1-Inhibitor.
Int J Nanomedicine, 16, 2021
6A3C
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BU of 6a3c by Molmil
MVM NES mutant Nm12 in complex with CRM1-Ran-RanBP1
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Exportin-1, ...
Authors:Sun, Q, Li, Y.
Deposit date:2018-06-15
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Cancer Therapy with Nanoparticle-Medicated Intracellular Expression of Peptide CRM1-Inhibitor.
Int J Nanomedicine, 16, 2021
8HQ6
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BU of 8hq6 by Molmil
KL2 in complex with CRM1-Ran-RanBP1
Descriptor: CHLORIDE ION, CRM1 isoform 1, DIMETHYL SULFOXIDE, ...
Authors:Sun, Q, Jian, L.
Deposit date:2022-12-13
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Discovery of Aminoratjadone Derivatives as Potent Noncovalent CRM1 Inhibitors.
J.Med.Chem., 66, 2023
8HQ3
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BU of 8hq3 by Molmil
KL1 in complex with CRM1-Ran-RanBP1
Descriptor: CHLORIDE ION, CRM1 isoform 1, DIMETHYL SULFOXIDE, ...
Authors:Sun, Q, Jian, L.
Deposit date:2022-12-13
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Aminoratjadone Derivatives as Potent Noncovalent CRM1 Inhibitors.
J.Med.Chem., 66, 2023
7XUX
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BU of 7xux by Molmil
Crystal structure of a FIC domain containnig protein
Descriptor: Fido domain-containing protein
Authors:Zhen, X, Ouyang, S.
Deposit date:2022-05-20
Release date:2022-12-21
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:A secreted effector with a dual role as a toxin and as a transcriptional factor.
Nat Commun, 13, 2022
6KFT
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BU of 6kft by Molmil
MVM NS2 mutant Nm42 in complex with CRM1-Ran-RanBP1
Descriptor: 1,2-ETHANEDIOL, Exportin-1, GLYCEROL, ...
Authors:Sun, Q, Li, Y.
Deposit date:2019-07-08
Release date:2020-07-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Cancer Therapy with Nanoparticle-Medicated Intracellular Expression of Peptide CRM1-Inhibitor.
Int J Nanomedicine, 16, 2021
6MNR
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BU of 6mnr by Molmil
Rhesus macaque anti-HIV V3 antibody DH753 with gp120 V3 ZAM18 peptide
Descriptor: 1,2-ETHANEDIOL, Ab DH753 heavy chain Fab fragment, Ab DH753 light chain, ...
Authors:Nicely, N.I.
Deposit date:2018-10-02
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Difficult-to-neutralize global HIV-1 isolates are neutralized by antibodies targeting open envelope conformations.
Nat Commun, 10, 2019
6MNQ
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BU of 6mnq by Molmil
Rhesus macaque anti-HIV V3 antibody DH727.2 with gp120 V3 ZAM18 peptide
Descriptor: 1,2-ETHANEDIOL, Ab DH727.2 heavy chain Fab fragment, Ab DH727.2 light chain, ...
Authors:Nicely, N.I.
Deposit date:2018-10-02
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.804 Å)
Cite:Difficult-to-neutralize global HIV-1 isolates are neutralized by antibodies targeting open envelope conformations.
Nat Commun, 10, 2019
4LGJ
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BU of 4lgj by Molmil
Crystal structure and mechanism of a type III secretion protease
Descriptor: Uncharacterized protein, ZINC ION
Authors:Li, W.Q, Liu, Y.X, Sheng, X.L, Yan, C.Y, Wang, J.W.
Deposit date:2013-06-28
Release date:2014-01-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure and mechanism of a type III secretion protease, NleC
Acta Crystallogr.,Sect.D, 70, 2014
8H7N
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BU of 8h7n by Molmil
Structure of nanobody 11A in complex with triazophos
Descriptor: 1,2-ETHANEDIOL, Nanobody 11A, SODIUM ION, ...
Authors:Wang, H, Li, J.D, Shen, X, Xu, Z.L, Sun, Y.M.
Deposit date:2022-10-20
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure of nanobody 11A in complex with triazophos
To Be Published
8H7M
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BU of 8h7m by Molmil
Structure of nanobody 11A in complex with parathion
Descriptor: Nanobody 11A, parathion
Authors:Wang, H, Li, J.D, Shen, X, Xu, Z.L, Sun, Y.M.
Deposit date:2022-10-20
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structure of nanobody 11A in complex with parathion
To Be Published
8H7I
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BU of 8h7i by Molmil
Structure of nanobody 11A in complex with quinalphos
Descriptor: Nanobody 11A, quinalphos
Authors:Wang, H, Li, J.D, Shen, X, Xu, Z.L, Sun, Y.M.
Deposit date:2022-10-20
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of nanobody 11A in complex with quinalphos
To Be Published
8H7R
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BU of 8h7r by Molmil
Structure of nanobody 11A in complex with coumaphos
Descriptor: Nanobody 11A, coumaphos
Authors:Wang, H, Li, J.D, Shen, X, Xu, Z.L, Sun, Y.M.
Deposit date:2022-10-20
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of nanobody 11A in complex with coumaphos
To Be Published
7A1A
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BU of 7a1a by Molmil
2,3-Dihydroxybenzoate Decarboxylase of Aspergillus oryzae
Descriptor: Amidohydrolase 2, CALCIUM ION, MAGNESIUM ION
Authors:Hofer, G, Keller, W.
Deposit date:2020-08-12
Release date:2020-10-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Metal Ion Promiscuity and Structure of 2,3-Dihydroxybenzoic Acid Decarboxylase of Aspergillus oryzae.
Chembiochem, 22, 2021
7A19
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BU of 7a19 by Molmil
2,3-Dihydroxybenzoate Decarboxylase of Aspergillus oryzae
Descriptor: Amidohydrolase 2, MAGNESIUM ION
Authors:Hofer, G, Keller, W.
Deposit date:2020-08-12
Release date:2020-10-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Metal Ion Promiscuity and Structure of 2,3-Dihydroxybenzoic Acid Decarboxylase of Aspergillus oryzae.
Chembiochem, 22, 2021
5U5T
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BU of 5u5t by Molmil
Crystal structure of EED in complex with H3K27Me3 peptide and 3-(benzo[d][1,3]dioxol-4-ylmethyl)piperidine-1-carboximidamide
Descriptor: (3R)-3-[(2H-1,3-benzodioxol-4-yl)methyl]piperidine-1-carboximidamide, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED, ...
Authors:Bussiere, D, Shu, W.
Deposit date:2016-12-07
Release date:2017-01-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
5U62
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BU of 5u62 by Molmil
Crystal structure of EED in complex with H3K27Me3 peptide and 6-(benzo[d][1,3]dioxol-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine
Descriptor: (6S)-6-[(2H-1,3-benzodioxol-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine, GLYCEROL, Histone-lysine N-methyltransferase EZH2, ...
Authors:Bussiere, D, Shu, W.
Deposit date:2016-12-07
Release date:2017-01-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
5U5K
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BU of 5u5k by Molmil
Crystal structure of EED in complex with 3-(3-methoxybenzyl)piperidine hydrochloride
Descriptor: (3R)-3-[(3-methoxyphenyl)methyl]piperidine, FORMIC ACID, Polycomb protein EED
Authors:Bussiere, D, Shu, W.
Deposit date:2016-12-06
Release date:2017-01-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
6DWO
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BU of 6dwo by Molmil
Crystal structure of alpha-1-2-mannosidase from Enterococcus faecalis V583
Descriptor: ACETATE ION, Alpha-1,2-mannosidase, CALCIUM ION, ...
Authors:Fisher, A.J, Li, Y.
Deposit date:2018-06-26
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Enterococcus faecalis alpha 1-2-mannosidase (EfMan-I): an efficient catalyst for glycoprotein N-glycan modification.
Febs Lett., 594, 2020
5U5H
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BU of 5u5h by Molmil
Crystal structure of EED in complex with 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine
Descriptor: (6S)-6-[(2-fluoro-5-methoxyphenyl)methyl]-1-(propan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine, GLYCEROL, Polycomb protein EED
Authors:Bussiere, D, Shu, W.
Deposit date:2016-12-06
Release date:2017-01-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
4RZW
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BU of 4rzw by Molmil
Crystal structure of BRAF (R509H) kinase domain bound to AZ628
Descriptor: 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide, Serine/threonine-protein kinase B-raf
Authors:Wu, Y, Gavathiotis, E.
Deposit date:2014-12-24
Release date:2016-08-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.493 Å)
Cite:An integrated model of RAF inhibitor action predicts inhibitor activity against oncogenic BRAF signaling
Cancer Cell, 30, 2016
4RZV
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BU of 4rzv by Molmil
Crystal structure of the BRAF (R509H) kinase domain monomer bound to Vemurafenib
Descriptor: N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide, Serine/threonine-protein kinase B-raf
Authors:Wu, Y, Gavathiotis, E.
Deposit date:2014-12-24
Release date:2016-08-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.994 Å)
Cite:An integrated model of RAF inhibitor action predicts inhibitor activity against oncogenic BRAF signaling
Cancer Cell, 30, 2016

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数据于2024-09-18公开中

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