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1SJJ
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BU of 1sjj by Molmil
Cryo-EM Structure of Chicken Gizzard Smooth Muscle alpha-Actinin
Descriptor: actinin
Authors:Liu, J, Taylor, D.W, Taylor, K.A.
Deposit date:2004-03-03
Release date:2004-03-23
Last modified:2024-02-14
Method:ELECTRON CRYSTALLOGRAPHY (20 Å)
Cite:A 3-D Reconstruction of Smooth Muscle alpha-Actinin by CryoEm Reveals Two Different Conformations at the Actin-binding Region.
J.Mol.Biol., 338, 2004
1YR1
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BU of 1yr1 by Molmil
Structure of the major extracytoplasmic domain of the trans isomer of the bacterial cell division protein divib from geobacillus stearothermophilus
Descriptor: cell-division initiation protein
Authors:Robson, S.A, King, G.F.
Deposit date:2005-02-02
Release date:2006-02-07
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Domain architecture and structure of the bacterial cell division protein DivIB.
Proc.Natl.Acad.Sci.USA, 103, 2006
1RY0
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BU of 1ry0 by Molmil
Structure of prostaglandin F synthase with prostaglandin D2
Descriptor: Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROSTAGLANDIN D2
Authors:Komoto, J, Yamada, T, Watanabe, K, Takusagawa, F.
Deposit date:2003-12-19
Release date:2004-11-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal structure of human prostaglandin F synthase (AKR1C3).
Biochemistry, 43, 2004
7EX6
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BU of 7ex6 by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 11
Descriptor: MANGANESE (II) ION, Replicase, methyl (Z)-4-(4-(4-chlorobenzyl)-1-(2-methylbenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
7EX8
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BU of 7ex8 by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 27
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Replicase, ...
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
7EX9
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BU of 7ex9 by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 28
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Replicase, ...
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
7EX2
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BU of 7ex2 by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with L-742,001 (methyl ester form)
Descriptor: MANGANESE (II) ION, Replicase, methyl (Z)-4-[4-[(4-chlorophenyl)methyl]-1-(phenylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
7EX7
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BU of 7ex7 by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 16
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Replicase, ...
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
7EX3
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BU of 7ex3 by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 3
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Replicase, ...
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
7EX4
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BU of 7ex4 by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 5
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Replicase, ...
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
4X5Y
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BU of 4x5y by Molmil
Menin in complex with MI-503
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, ...
Authors:Pollock, J, Borkin, D, Cierpicki, T, Grembecka, J.
Deposit date:2014-12-06
Release date:2015-04-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Pharmacologic Inhibition of the Menin-MLL Interaction Blocks Progression of MLL Leukemia In Vivo.
Cancer Cell, 27, 2015
4BUY
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BU of 4buy by Molmil
Crystal structure of human tankyrase 2 in complex with 5-methyl-5-(4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl)imidazolidine-2,4-dione
Descriptor: (5S)-5-methyl-5-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]imidazolidine-2,4-dione, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Haikarainen, T, Narwal, M, Lehtio, L.
Deposit date:2013-06-24
Release date:2013-10-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
6IS6
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BU of 6is6 by Molmil
Crystal structure of Thermoplasmatales archaeon heliorhodopsin
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, RETINAL, heliorhodopsin
Authors:Shihoya, W, Yamashita, K, Nureki, O.
Deposit date:2018-11-15
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of heliorhodopsin.
Nature, 574, 2019
4BUV
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BU of 4buv by Molmil
Crystal structure of human tankyrase 2 in complex with N-(4-(4-oxo-3, 4-dihydroquinazolin-2-yl)phenyl)thiophene-2-carboxamide
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, N-[4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)PHENYL]THIOPHENE-2-CARBOXAMIDE, ...
Authors:Haikarainen, T, Narwal, M, Lehtio, L.
Deposit date:2013-06-24
Release date:2013-10-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
4EOY
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BU of 4eoy by Molmil
Plasmodium falciparum Atg8 in complex with Plasmodium falciparum Atg3 peptide
Descriptor: ACETATE ION, Autophagy-related protein 3, CALCIUM ION, ...
Authors:Hain, A.U.P, Bosch, J.
Deposit date:2012-04-16
Release date:2013-02-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structural characterization and inhibition of the Plasmodium Atg8-Atg3 interaction.
J.Struct.Biol., 180, 2012
3UFY
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BU of 3ufy by Molmil
AKR1C3 complex with R-naproxen
Descriptor: (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, ...
Authors:Squire, C.J, Flanagan, J.U, Yosaatmadja, Y, Teague, R.M, Chai, M.
Deposit date:2011-11-01
Release date:2012-08-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
1RY8
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BU of 1ry8 by Molmil
Prostaglandin F synthase complexed with NADPH and rutin
Descriptor: Aldo-keto reductase family 1 member C3, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, RUTIN
Authors:Komoto, J, Yamada, T, Watanabe, K, Takusagawa, F.
Deposit date:2003-12-19
Release date:2004-11-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal structure of human prostaglandin F synthase (AKR1C3).
Biochemistry, 43, 2004
3ZM3
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BU of 3zm3 by Molmil
Catalytic domain of human SHP2
Descriptor: TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 11
Authors:Bohm, K, Schuetz, A, Roske, Y, Heinemann, U.
Deposit date:2013-02-04
Release date:2014-04-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Selective Inhibitors of the Protein Tyrosine Phosphatase Shp2 Block Cellular Motility and Growth of Cancer Cells in Vitro and in Vivo.
Chemmedchem, 10, 2015
1MEM
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BU of 1mem by Molmil
Crystal structure of Cathepsin K complexed with a potent vinyl sulfone inhibitor
Descriptor: Cathepsin K, N-{(1R)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}-N~2~-(piperazin-1-ylcarbonyl)-L-leucinamide
Authors:Mcgrath, M.E.
Deposit date:1997-01-08
Release date:1998-01-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human cathepsin K complexed with a potent inhibitor.
Nat.Struct.Biol., 4, 1997
1Q5A
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BU of 1q5a by Molmil
S-shaped trans interactions of cadherins model based on fitting C-cadherin (1L3W) to 3D map of desmosomes obtained by electron tomography
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:He, W, Cowin, P, Stokes, D.L.
Deposit date:2003-08-06
Release date:2003-10-07
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (30 Å)
Cite:Untangling Desmosomal Knots with Electron Tomography
Science, 302, 2003
6IU9
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BU of 6iu9 by Molmil
Crystal structure of cytoplasmic metal binding domain with iron ions
Descriptor: FE (II) ION, VIT1, ZINC ION
Authors:Kato, T, Nishizawa, T, Yamashita, K, Kumazaki, K, Ishitani, R, Nureki, O.
Deposit date:2018-11-27
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of plant vacuolar iron transporter VIT1.
Nat Plants, 5, 2019
1Q55
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BU of 1q55 by Molmil
W-shaped trans interactions of cadherins model based on fitting C-cadherin (1L3W) to 3D map of desmosomes obtained by electron tomography
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:He, W, Cowin, P, Stokes, D.L.
Deposit date:2003-08-06
Release date:2003-10-07
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (30 Å)
Cite:Untangling Desmosomal Knots with Electron Tomography
Science, 302, 2003
4YZC
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BU of 4yzc by Molmil
Crystal structure of pIRE1alpha in complex with staurosporine
Descriptor: STAUROSPORINE, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Concha, N.O.
Deposit date:2015-03-24
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.494 Å)
Cite:Long-Range Inhibitor-Induced Conformational Regulation of Human IRE1 alpha Endoribonuclease Activity.
Mol.Pharmacol., 88, 2015
3ZM1
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BU of 3zm1 by Molmil
Catalytic domain of human SHP2
Descriptor: TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 11
Authors:Bohm, K, Schuetz, A, Roske, Y, Heinemann, U.
Deposit date:2013-02-04
Release date:2014-04-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Selective Inhibitors of the Protein Tyrosine Phosphatase Shp2 Block Cellular Motility and Growth of Cancer Cells in Vitro and in Vivo.
Chemmedchem, 10, 2015
7LOM
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BU of 7lom by Molmil
Ornithine Aminotransferase (OAT) soaked with its inactivator - (1S,3S)-3-amino-4-(difluoromethylene)cyclohexene-1-carboxylic acid
Descriptor: (3~{S},4~{S})-4-methyl-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid, (4~{R})-4-(fluoranylmethyl)-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid, Ornithine aminotransferase, ...
Authors:Butrin, A, Zhu, W, Liu, D, Silverman, R.
Deposit date:2021-02-10
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Remarkable and Unexpected Mechanism for ( S )-3-Amino-4-(difluoromethylenyl)cyclohex-1-ene-1-carboxylic Acid as a Selective Inactivator of Human Ornithine Aminotransferase.
J.Am.Chem.Soc., 143, 2021

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PDB entries from 2024-08-14

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