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6L3G
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BU of 6l3g by Molmil
Structural Basis for DNA Unwinding at Forked dsDNA by two coordinating Pif1 helicases
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase, DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*CP*GP*CP*GP*CP*GP*CP*GP*CP*GP*TP*TP*TP*T)-3'), ...
Authors:Su, N, Bharath, S.R, Song, H.
Deposit date:2019-10-10
Release date:2019-12-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis for DNA unwinding at forked dsDNA by two coordinating Pif1 helicases.
Nat Commun, 10, 2019
7WKS
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BU of 7wks by Molmil
Apo state of AtPIN3
Descriptor: Auxin efflux carrier component 3
Authors:Su, N.
Deposit date:2022-01-11
Release date:2022-08-10
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structures and mechanisms of the Arabidopsis auxin transporter PIN3.
Nature, 609, 2022
7WKW
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BU of 7wkw by Molmil
NPA bound state of AtPIN3
Descriptor: 2-(naphthalen-1-ylcarbamoyl)benzoic acid, Auxin efflux carrier component 3
Authors:Su, N.
Deposit date:2022-01-11
Release date:2022-08-10
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.62 Å)
Cite:Structures and mechanisms of the Arabidopsis auxin transporter PIN3.
Nature, 609, 2022
7XEM
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BU of 7xem by Molmil
Cholesterol bound state of mTRPV2
Descriptor: CHOLESTEROL, Transient receptor potential cation channel subfamily V member 2
Authors:Su, N.
Deposit date:2022-03-31
Release date:2022-08-17
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
7XEO
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BU of 7xeo by Molmil
MbetaCD treated state of mTRPV2
Descriptor: Transient receptor potential cation channel subfamily V member 2
Authors:Su, N.
Deposit date:2022-03-31
Release date:2022-08-17
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
7XEU
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BU of 7xeu by Molmil
Structure of mTRPV2_E2
Descriptor: CHOLESTEROL, Transient receptor potential cation channel subfamily V member 2
Authors:Su, N.
Deposit date:2022-03-31
Release date:2022-08-17
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
7XEV
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BU of 7xev by Molmil
Structure of mTRPV2_2-APB
Descriptor: 2-aminoethyl diphenylborinate, Transient receptor potential cation channel subfamily V member 2
Authors:Su, N.
Deposit date:2022-03-31
Release date:2022-08-17
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
7XEW
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BU of 7xew by Molmil
Structure of mTRPV2_Q525F
Descriptor: Transient receptor potential cation channel subfamily V member 2
Authors:Su, N.
Deposit date:2022-03-31
Release date:2022-08-17
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.59 Å)
Cite:Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
7XER
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BU of 7xer by Molmil
Structure of mTRPV2_Q525T
Descriptor: CHOLESTEROL, Transient receptor potential cation channel subfamily V member 2
Authors:Su, N.
Deposit date:2022-03-31
Release date:2022-08-17
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.47 Å)
Cite:Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
7XXB
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BU of 7xxb by Molmil
IAA bound state of AtPIN3
Descriptor: 1H-INDOL-3-YLACETIC ACID, Auxin efflux carrier component 3
Authors:Su, N.
Deposit date:2022-05-29
Release date:2022-08-10
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Structures and mechanisms of the Arabidopsis auxin transporter PIN3.
Nature, 609, 2022
7YEP
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BU of 7yep by Molmil
2-APB bound state of mTRPV2
Descriptor: 2-aminoethyl diphenylborinate, Transient receptor potential cation channel subfamily V member 2
Authors:Su, N.
Deposit date:2022-07-06
Release date:2022-08-17
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
1WP8
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BU of 1wp8 by Molmil
crystal structure of Hendra Virus fusion core
Descriptor: Fusion glycoprotein F0,Fusion glycoprotein F0
Authors:Xu, Y, Liu, Y, Lou, Z, Su, N, Bai, Z, Gao, G.F, Rao, Z.
Deposit date:2004-08-31
Release date:2005-11-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of Nipah and Hendra virus fusion core proteins
FEBS J., 273, 2006
1WP7
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BU of 1wp7 by Molmil
crystal structure of Nipah Virus fusion core
Descriptor: fusion protein
Authors:Xu, Y, Liu, Y, Lou, Z, Su, N, Bai, Z, Gao, G.F, Rao, Z.
Deposit date:2004-08-31
Release date:2005-11-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Nipah Virus fusion core
To be Published
8W9T
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BU of 8w9t by Molmil
Structure of TaHKT2;1 in NaCl at 2.6 Angstroms resolution
Descriptor: HKT2, SODIUM ION
Authors:Wang, J, Su, N, Guo, J.
Deposit date:2023-09-05
Release date:2024-02-14
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structures and ion transport mechanisms of plant high-affinity potassium transporters.
Mol Plant, 17, 2024
8W9V
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BU of 8w9v by Molmil
structure of TaHKT2;1 in KCl at 2.9 Angstroms resolution
Descriptor: HKT2, POTASSIUM ION
Authors:Wang, J, Su, N, Guo, J.
Deposit date:2023-09-05
Release date:2024-02-14
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structures and ion transport mechanisms of plant high-affinity potassium transporters.
Mol Plant, 17, 2024
8W9O
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BU of 8w9o by Molmil
structure of AtHKT1;1 in KCl at 2.8 Angstroms resolution
Descriptor: POTASSIUM ION, Sodium transporter HKT1
Authors:Wang, J, Su, N, Guo, J.
Deposit date:2023-09-05
Release date:2024-02-14
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structures and ion transport mechanisms of plant high-affinity potassium transporters.
Mol Plant, 17, 2024
8W9N
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BU of 8w9n by Molmil
Structure of AtHKT1;1 in NaCl at 2.7 Angstroms resolution
Descriptor: SODIUM ION, Sodium transporter HKT1
Authors:Wang, J, Su, N, Guo, J.
Deposit date:2023-09-05
Release date:2024-02-14
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structures and ion transport mechanisms of plant high-affinity potassium transporters.
Mol Plant, 17, 2024
8RPO
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BU of 8rpo by Molmil
BFL1 in complex with a reversible covalent ligand
Descriptor: (~{E})-2-cyano-3-(2-dimethylphosphorylphenyl)-~{N}-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]prop-2-enamide, Bcl-2-related protein A1
Authors:Hargreaves, D.
Deposit date:2024-01-16
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.791 Å)
Cite:Identification and Evaluation of Reversible Covalent Binders to Cys55 of Bfl-1 from a DNA-Encoded Chemical Library Screen.
Acs Med.Chem.Lett., 15, 2024
4W6E
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BU of 4w6e by Molmil
Human Tankyrase 1 with small molecule inhibitor
Descriptor: 2-(4-{6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3H)-one, Tankyrase-1, ZINC ION
Authors:Kazmirski, S.L, Johannes, J, Boriack-Sjodin, P.A, Howard, T.
Deposit date:2014-08-20
Release date:2015-05-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
5MES
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BU of 5mes by Molmil
MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 29
Descriptor: (5~{R},13~{S},17~{S})-5-[[4-chloranyl-3-(2-phenylethyl)phenyl]methyl]-13-[(4-chlorophenyl)methyl]-8-methyl-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20(25),21,23-triene-3,7,15,26-tetrone, Heavy Chain, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog,Induced myeloid leukemia cell differentiation protein Mcl-1, ...
Authors:Hargreaves, D.
Deposit date:2016-11-16
Release date:2017-01-18
Last modified:2017-03-08
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors.
ACS Med Chem Lett, 8, 2017
6FS1
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BU of 6fs1 by Molmil
MCL1 in complex with an indole acid ligand
Descriptor: 1,2-ETHANEDIOL, 7-[3-[(1,5-dimethylpyrazol-3-yl)methylsulfanylmethyl]-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Kasmirski, S, Hargreaves, D.
Deposit date:2018-02-18
Release date:2018-12-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia.
Nat Commun, 9, 2018
6FS0
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BU of 6fs0 by Molmil
INDUCED MYELOID LEUKEMIA CELL DIFFERENTIATION PROTEIN FABCOMPLEX IN COMPLEX WITH AZD5991
Descriptor: AZD5991, Fab Heavy Chain, Fab Light Chain, ...
Authors:Hargreaves, D.
Deposit date:2018-02-18
Release date:2018-12-26
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia.
Nat Commun, 9, 2018
5MEV
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BU of 5mev by Molmil
MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 21
Descriptor: (5~{R},13~{S},17~{S})-5-[(3,4-dichlorophenyl)methyl]-8-methyl-13-[(4-methylsulfonylphenyl)methyl]-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20,22,24-triene-3,7,15,26-tetrone, Fab Heavy Chain, Fab Light Chain, ...
Authors:Hargreaves, D.
Deposit date:2016-11-16
Release date:2017-01-18
Last modified:2017-03-08
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors
Acs Med.Chem.Lett., 8, 2017
6FS2
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BU of 6fs2 by Molmil
MCL1 in complex with indole acid ligand
Descriptor: 7-(2-methylphenyl)-3-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Hargreaves, D.
Deposit date:2018-02-18
Release date:2018-12-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia.
Nat Commun, 9, 2018
6RNU
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BU of 6rnu by Molmil
BCL-XL in a complex with a covalent small molecule inhibitor
Descriptor: 4-(4-fluorophenyl)-3-fluorosulfonyl-benzoic acid, BROMIDE ION, Bcl-2-like protein 1
Authors:Hargreaves, D.
Deposit date:2019-05-09
Release date:2019-10-02
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery and optimization of covalent Bcl-xL antagonists.
Bioorg.Med.Chem.Lett., 29, 2019

 

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