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4E9A
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BU of 4e9a by Molmil
Structure of Peptide Deformylase form Helicobacter Pylori in complex with inhibitor
Descriptor: 2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COBALT (II) ION, ...
Authors:Cui, K, Zhu, L, Lu, W, Huang, J.
Deposit date:2012-03-20
Release date:2013-04-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.662 Å)
Cite:Identification of Novel Peptide Deformylase Inhibitors from Natural Products
To be Published
4R7L
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BU of 4r7l by Molmil
Structure of Human Leukotriene A4 Hydrolase in complex with inhibitor H1
Descriptor: ACETATE ION, GLYCEROL, IMIDAZOLE, ...
Authors:Ouyang, P, Cui, K, Lu, W, Huang, J.
Deposit date:2014-08-27
Release date:2015-11-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Human Leukotriene A4 Hydrolase in complex with SAHA
To be Published
4RSY
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BU of 4rsy by Molmil
Crystal structures of the Human leukotriene A4 Hydrolase complex with a potential inhibitor H7
Descriptor: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, ACETIC ACID, IMIDAZOLE, ...
Authors:Ouyang, P, Lu, W, Cui, K, Huang, J.
Deposit date:2014-11-12
Release date:2015-12-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structure of Human Leukotriene A4 Hydrolase in complex with inhibitor H1
To be Published
4TLM
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BU of 4tlm by Molmil
Crystal structure of GluN1/GluN2B NMDA receptor, structure 2
Descriptor: 1-AMINOCYCLOPROPANECARBOXYLIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol, ...
Authors:Gouaux, E, Lee, C.-H, Lu, W.
Deposit date:2014-05-30
Release date:2014-07-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.77 Å)
Cite:NMDA receptor structures reveal subunit arrangement and pore architecture.
Nature, 511, 2014
4RVB
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BU of 4rvb by Molmil
Crystal Structure Analysis of the Human Leukotriene A4 Hydrolase
Descriptor: ACETATE ION, ACETIC ACID, GLYCEROL, ...
Authors:Ouyang, P, Lu, W, Cui, K, Huang, J.
Deposit date:2014-11-25
Release date:2015-12-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal Structure Analysis of the Human Leukotriene A4 Hydrolase
To be Published
4TLL
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BU of 4tll by Molmil
Crystal structure of GluN1/GluN2B NMDA receptor, structure 1
Descriptor: 1-AMINOCYCLOPROPANECARBOXYLIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol, ...
Authors:Gouaux, E, Lee, C.-H, Lu, W.
Deposit date:2014-05-30
Release date:2014-07-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:NMDA receptor structures reveal subunit arrangement and pore architecture.
Nature, 511, 2014
4E9B
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BU of 4e9b by Molmil
Structure of Peptide Deformylase form Helicobacter Pylori in complex with actinonin
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACTINONIN, COBALT (II) ION, ...
Authors:Cui, K, Zhu, L, Lu, W, Huang, J.
Deposit date:2012-03-20
Release date:2013-04-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identification of Novel Peptide Deformylase Inhibitors from Natural Products
To be Published
3QTE
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BU of 3qte by Molmil
Crystal structure of human alpha-defensin 6 (H27W mutant)
Descriptor: CHLORIDE ION, Defensin-6, GLYCEROL
Authors:Pazgier, M, Lu, W.
Deposit date:2011-02-22
Release date:2012-01-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:Human alpha-defensin 6 promotes mucosal innate immunity through self-assembled peptide nanonets.
Science, 337, 2012
1CT4
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BU of 1ct4 by Molmil
CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-VAL18I IN COMPLEX WITH SGPB
Descriptor: OVOMUCOID INHIBITOR, PROTEINASE B
Authors:Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G.
Deposit date:1999-08-18
Release date:2000-01-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB.
Protein Sci., 9, 2000
1DS3
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BU of 1ds3 by Molmil
CRYSTAL STRUCTURE OF OMTKY3-CH2-ASP19I
Descriptor: OVOMUCOID
Authors:Bateman, K.S, Huang, K, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G.
Deposit date:2000-01-06
Release date:2001-01-31
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Contribution of peptide bonds to inhibitor-protease binding: crystal structures of the turkey ovomucoid third domain backbone variants OMTKY3-Pro18I and OMTKY3-psi[COO]-Leu18I in complex with Streptomyces griseus proteinase B (SGPB) and the structure of the free inhibitor, OMTKY-3-psi[CH2NH2+]-Asp19I
J.Mol.Biol., 305, 2001
1DS2
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BU of 1ds2 by Molmil
CRYSTAL STRUCTURE OF SGPB:OMTKY3-COO-LEU18I
Descriptor: OVOMUCOID, PROTEINASE B (SGPB)
Authors:Bateman, K.S, Huang, K, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G.
Deposit date:2000-01-06
Release date:2001-01-31
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Contribution of peptide bonds to inhibitor-protease binding: crystal structures of the turkey ovomucoid third domain backbone variants OMTKY3-Pro18I and OMTKY3-psi[COO]-Leu18I in complex with Streptomyces griseus proteinase B (SGPB) and the structure of the free inhibitor, OMTKY-3-psi[CH2NH2+]-Asp19I
J.Mol.Biol., 305, 2001
1CT2
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BU of 1ct2 by Molmil
CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-THR18I IN COMPLEX WITH SGPB
Descriptor: OVOMUCOID INHIBITOR, PROTEINASE B
Authors:Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.
Deposit date:1999-08-18
Release date:2000-01-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB.
Protein Sci., 9, 2000
9B94
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BU of 9b94 by Molmil
Cryo-EM structure of the E396A mutant of human TRPM4 in complex with calcium at 37 degrees Celsius
Descriptor: CALCIUM ION, Transient receptor potential cation channel subfamily M member 4
Authors:Hu, J, Lu, W, Du, J.
Deposit date:2024-04-01
Release date:2024-05-22
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Physiological temperature drives TRPM4 ligand recognition and gating.
Nature, 630, 2024
9B91
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BU of 9b91 by Molmil
Cryo-EM structure of the human TRPM4 channel subunit in complex with calcium and ATP at 37 degrees Celsius
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, Transient receptor potential cation channel subfamily M member 4
Authors:Hu, J, Lu, W, Du, J.
Deposit date:2024-04-01
Release date:2024-05-15
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Physiological temperature drives TRPM4 ligand recognition and gating.
Nature, 630, 2024
9B90
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BU of 9b90 by Molmil
Cryo-EM structure of the human TRPM4 channel in complex with calcium and ATP at 37 degrees Celsius
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, Transient receptor potential cation channel subfamily M member 4
Authors:Hu, J, Lu, W, Du, J.
Deposit date:2024-04-01
Release date:2024-05-15
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Physiological temperature drives TRPM4 ligand recognition and gating.
Nature, 630, 2024
9B93
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BU of 9b93 by Molmil
Cryo-EM structure of the human TRPM4 channel in the presence of EDTA at 37 degrees Celsius
Descriptor: Transient receptor potential cation channel subfamily M member 4
Authors:Hu, J, Lu, W, Du, J.
Deposit date:2024-04-01
Release date:2024-05-15
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Physiological temperature drives TRPM4 ligand recognition and gating.
Nature, 630, 2024
9B8Z
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BU of 9b8z by Molmil
Cryo-EM structure of the human TRPM4 channel subunit in complex with calcium and decavanadate at 37 degrees Celsius
Descriptor: CALCIUM ION, DECAVANADATE, Transient receptor potential cation channel subfamily M member 4
Authors:Hu, J, Lu, W, Du, J.
Deposit date:2024-04-01
Release date:2024-05-15
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Physiological temperature drives TRPM4 ligand recognition and gating.
Nature, 630, 2024
9B92
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BU of 9b92 by Molmil
Cryo-EM structure of the human TRPM4 in complex with calcium at 18 degrees Celsius
Descriptor: CALCIUM ION, Transient receptor potential cation channel subfamily M member 4
Authors:Hu, J, Lu, W, Du, J.
Deposit date:2024-04-01
Release date:2024-05-15
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Physiological temperature drives TRPM4 ligand recognition and gating.
Nature, 630, 2024
9B8W
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BU of 9b8w by Molmil
Cryo-EM structure of the human TRPM4 in complex with calcium at 37 degrees Celsius
Descriptor: CALCIUM ION, Transient receptor potential cation channel subfamily M member 4
Authors:Hu, J, Lu, W, Du, J.
Deposit date:2024-04-01
Release date:2024-05-15
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Physiological temperature drives TRPM4 ligand recognition and gating.
Nature, 630, 2024
9B8X
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BU of 9b8x by Molmil
Cryo-EM structure of the human TRPM4 channel subunit in complex with calcium 37 degrees Celsius
Descriptor: CALCIUM ION, Transient receptor potential cation channel subfamily M member 4
Authors:Hu, J, Lu, W, Du, J.
Deposit date:2024-04-01
Release date:2024-05-15
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Physiological temperature drives TRPM4 ligand recognition and gating.
Nature, 630, 2024
9B8Y
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BU of 9b8y by Molmil
Cryo-EM structure of the human TRPM4 channel in complex with calcium and decavanadate at 37 degrees Celsius
Descriptor: CALCIUM ION, DECAVANADATE, Transient receptor potential cation channel subfamily M member 4
Authors:Hu, J, Lu, W, Du, J.
Deposit date:2024-04-01
Release date:2024-05-15
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Physiological temperature drives TRPM4 ligand recognition and gating.
Nature, 630, 2024
1CSO
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BU of 1cso by Molmil
CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-ILE18I IN COMPLEX WITH SGPB
Descriptor: OVOMUCOID INHIBITOR, PROTEINASE B
Authors:Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G.
Deposit date:1999-08-18
Release date:2000-01-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB.
Protein Sci., 9, 2000
1CT0
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BU of 1ct0 by Molmil
CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-SER18I IN COMPLEX WITH SGPB
Descriptor: OVOMUCOID INHIBITOR, PROTEINASE B
Authors:Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G.
Deposit date:1999-08-18
Release date:2000-01-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB.
Protein Sci., 9, 2000
6K05
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BU of 6k05 by Molmil
Crystal structure of BRD2(BD1)with ligand BY27 bound
Descriptor: (6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bromodomain-containing protein 2
Authors:Lu, T, Lu, W, Chen, D, Zhao, Y, Luo, C.
Deposit date:2019-05-05
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.935 Å)
Cite:Discovery, structural insight, and bioactivities of BY27 as a selective inhibitor of the second bromodomains of BET proteins.
Eur.J.Med.Chem., 182, 2019
6K04
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BU of 6k04 by Molmil
Crystal structure of BRD2(BD2)with ligand BY27 bound
Descriptor: (6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine, Bromodomain-containing protein 2
Authors:Lu, T, Lu, W, Chen, D, Zhao, Y, Luo, C.
Deposit date:2019-05-05
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.251 Å)
Cite:Discovery, structural insight, and bioactivities of BY27 as a selective inhibitor of the second bromodomains of BET proteins.
Eur.J.Med.Chem., 182, 2019

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