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7P4E
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BU of 7p4e by Molmil
Crystal structure of PPARgamma in complex with compound FL217
Descriptor: 1,2-ETHANEDIOL, Peroxisome proliferator-activated receptor gamma, SULFATE ION, ...
Authors:Ni, X, Lillich, F, Proschak, E, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-07-11
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Based Design of Dual Partial Peroxisome Proliferator-Activated Receptor gamma Agonists/Soluble Epoxide Hydrolase Inhibitors.
J.Med.Chem., 64, 2021
7P4K
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BU of 7p4k by Molmil
Soluble epoxide hydrolase in complex with FL217
Descriptor: Bifunctional epoxide hydrolase 2, ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide
Authors:Ni, X, Kramer, J.S, Lillich, F, Proschak, E, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-07-11
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Based Design of Dual Partial Peroxisome Proliferator-Activated Receptor gamma Agonists/Soluble Epoxide Hydrolase Inhibitors.
J.Med.Chem., 64, 2021
3DSL
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BU of 3dsl by Molmil
The Three-dimensional Structure of Bothropasin, the Main Hemorrhagic Factor from Bothrops jararaca venom.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FUROYL-LEUCINE, ...
Authors:Muniz, J.R.C, Ambrosio, A, Selistre-de-Araujo, H.S, Oliva, G, Garratt, R.C, Souza, D.H.F.
Deposit date:2008-07-13
Release date:2008-10-21
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The three-dimensional structure of bothropasin, the main hemorrhagic factor from Bothrops jararaca venom: Insights for a new classification of snake venom metalloprotease subgroups.
Toxicon, 52, 2008
5IKC
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BU of 5ikc by Molmil
X-RAY STRUCTURE OF THE N-TERMINAL DOMAIN OF HUMAN DOUBLECORTIN in complex with FAB
Descriptor: CHLORIDE ION, Ighg protein, MAb 6H10 light chain, ...
Authors:Ruf, A, Stihle, M, Benz, J, Thoma, R, Rudolph, M.G.
Deposit date:2016-03-03
Release date:2016-05-18
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal Structures of the Human Doublecortin C- and N-terminal Domains in Complex with Specific Antibodies.
J.Biol.Chem., 291, 2016
3MHJ
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BU of 3mhj by Molmil
Human tankyrase 2 - catalytic PARP domain in complex with 1-methyl-3-(trifluoromethyl)-5h-benzo[c][1,8]naphtyridine-6-one
Descriptor: 1-methyl-3-(trifluoromethyl)benzo[c][1,8]naphthyridin-6(5H)-one, SULFATE ION, Tankyrase-2, ...
Authors:Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Markova, N, Moche, M, Nordlund, P, Nyman, T, Persson, C, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2010-04-08
Release date:2010-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors
Nat.Biotechnol., 30, 2012
1VJE
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BU of 1vje by Molmil
Crystal structure of a autoinducer-2 synthesis protein with bound selenomethionine
Descriptor: Autoinducer-2 production protein LuxS, SELENOMETHIONINE, ZINC ION
Authors:Structural GenomiX
Deposit date:2004-02-03
Release date:2004-02-10
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:A Structural Genomics Approach to the Study of Quorum Sensing: Crystal Structures of Three LuxS Orthologs
Structure, 9, 2001
1VI7
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BU of 1vi7 by Molmil
Crystal structure of an hypothetical protein
Descriptor: Hypothetical protein yigZ
Authors:Structural GenomiX
Deposit date:2003-12-01
Release date:2003-12-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of YIGZ, a conserved hypothetical protein from Escherichia coli k12 with a novel fold
Proteins, 55, 2004
4WRN
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BU of 4wrn by Molmil
Crystal structure of the polymerization region of human uromodulin/Tamm-Horsfall protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltose-binding periplasmic protein,Uromodulin, ZINC ION, ...
Authors:Bokhove, M, De Sanctis, D, Jovine, L.
Deposit date:2014-10-24
Release date:2016-01-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:A structured interdomain linker directs self-polymerization of human uromodulin.
Proc.Natl.Acad.Sci.USA, 113, 2016
3FCB
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BU of 3fcb by Molmil
Crystal structure of transthyretin in complex with iododiflunisal-betaAlaOH
Descriptor: N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOBIPHENYL-3-YL)CARBONYL]-BETA-ALANINE, transthyretin
Authors:Gales, L, Damas, A.M.
Deposit date:2008-11-21
Release date:2009-02-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Iodine atoms: a new molecular feature for the design of potent transthyretin fibrillogenesis inhibitors.
Plos One, 4, 2009
6O9Z
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BU of 6o9z by Molmil
Electron cryo-microscopy of the eukaryotic translation initiation factor 2B bound to eukaryotic translation initiation factor 2 from Homo sapiens
Descriptor: Eukaryotic translation initiation factor 2 subunit 1, Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, ...
Authors:Nguyen, H.C, Kenner, L.R, Frost, A.S.
Deposit date:2019-03-15
Release date:2019-05-15
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:eIF2B-catalyzed nucleotide exchange and phosphoregulation by the integrated stress response.
Science, 364, 2019
3FC8
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BU of 3fc8 by Molmil
Crystal structure of transthyretin in complex with iododiflunisal-betaAlaOMe
Descriptor: METHYL N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOBIPHENYL-3-YL)CARBONYL]-BETA-ALANINATE, transthyretin
Authors:Gales, L, Damas, A.M.
Deposit date:2008-11-21
Release date:2009-02-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Iodine atoms: a new molecular feature for the design of potent transthyretin fibrillogenesis inhibitors.
Plos One, 4, 2009
6O85
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BU of 6o85 by Molmil
Electron cryo-microscopy of the eukaryotic translation initiation factor 2B bound to eukaryotic translation initiation factor 2 from Homo sapiens
Descriptor: 2-(4-chloranylphenoxy)-~{N}-[4-[2-(4-chloranylphenoxy)ethanoylamino]cyclohexyl]ethanamide, Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 3, ...
Authors:Nguyen, H.C, Kenner, L.R, Frost, A.S.
Deposit date:2019-03-08
Release date:2019-05-15
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:eIF2B-catalyzed nucleotide exchange and phosphoregulation by the integrated stress response.
Science, 364, 2019
3MHK
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BU of 3mhk by Molmil
Human tankyrase 2 - catalytic PARP domain in complex with 2-(2-pyridyl)-7,8-dihydro-5h-thiino[4,3-d]pyrimidin-4-ol
Descriptor: 2-pyridin-2-yl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol, GLYCEROL, Tankyrase-2, ...
Authors:Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Markova, N, Moche, M, Nordlund, P, Nyman, T, Persson, C, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2010-04-08
Release date:2010-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors
Nat.Biotechnol., 30, 2012
2OUL
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BU of 2oul by Molmil
The Structure of Chagasin in Complex with a Cysteine Protease Clarifies the Binding Mode and Evolution of a New Inhibitor Family
Descriptor: Chagasin, Falcipain 2
Authors:Wang, S.X, Chand, K, Huang, R, Whisstock, J, Jacobelli, J, Fletterick, R.J, Rosenthal, P.J, McKerrow, J.H.
Deposit date:2007-02-11
Release date:2008-02-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structure of chagasin in complex with a cysteine protease clarifies the binding mode and evolution of an inhibitor family.
Structure, 15, 2007
8GJW
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BU of 8gjw by Molmil
Structure of a cGAS-like receptor Cv-cGLR1 from C. virginica
Descriptor: SULFATE ION, cGAS-like receptor 1
Authors:Li, Y, Morehouse, B.R, Slavik, K.M, Liu, J, Toyoda, H, Kranzusch, P.J.
Deposit date:2023-03-16
Release date:2023-07-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:cGLRs are a diverse family of pattern recognition receptors in innate immunity.
Cell, 186, 2023
5F0E
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BU of 5f0e by Molmil
Murine endoplasmic reticulum alpha-glucosidase II
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N.
Deposit date:2015-11-27
Release date:2016-07-27
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
8GJZ
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BU of 8gjz by Molmil
Structure of a STING receptor from S. pistillata Sp-STING1 bound to 2'3'-cUA
Descriptor: 2'3'-cUA, Stimulator of interferon genes protein
Authors:Li, Y, Toyoda, H, Slavik, K.M, Morehouse, B.R, Kranzusch, P.J.
Deposit date:2023-03-16
Release date:2023-07-05
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:cGLRs are a diverse family of pattern recognition receptors in innate immunity.
Cell, 186, 2023
5A6D
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BU of 5a6d by Molmil
Proliferating Cell Nuclear Antigen, PCNA, from Thermococcus gammatolerans
Descriptor: DNA POLYMERASE SLIDING CLAMP
Authors:Venancio-Landeros, A, Cardona-Felix, C.S, Rudino-Pinera, E.
Deposit date:2015-06-25
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Cloning, recombinant production and crystallographic structure of Proliferating Cell Nuclear Antigen from radioresistant archaeon Thermococcus gammatolerans.
Biochem Biophys Rep, 8, 2016
1LTR
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BU of 1ltr by Molmil
CRYSTAL STRUCTURE OF THE B SUBUNIT OF HUMAN HEAT-LABILE ENTEROTOXIN FROM E. COLI CARRYING A PEPTIDE WITH ANTI-HSV ACTIVITY
Descriptor: HEAT-LABILE ENTEROTOXIN, SULFATE ION
Authors:Matkovic-Calogovic, D, Loreggian, A, Palu, G, Zanotti, G.
Deposit date:1998-07-31
Release date:1999-02-09
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Crystal structure of the B subunit of Escherichia coli heat-labile enterotoxin carrying peptides with anti-herpes simplex virus type 1 activity.
J.Biol.Chem., 274, 1999
8GJX
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BU of 8gjx by Molmil
Structure of the human STING receptor bound to 2'3'-cUA
Descriptor: 2'3'-cUA, Stimulator of interferon genes protein
Authors:Morehouse, B.R, Li, Y, Slavik, K.M, Toyoda, H, Kranzusch, P.J.
Deposit date:2023-03-16
Release date:2023-07-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:cGLRs are a diverse family of pattern recognition receptors in innate immunity.
Cell, 186, 2023
8GJY
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BU of 8gjy by Molmil
Structure of a cGAS-like receptor Sp-cGLR1 from S. pistillata
Descriptor: cGAS-like receptor 1
Authors:Li, Y, Toyoda, H, Slavik, K.M, Morehouse, B.R, Kranzusch, P.J.
Deposit date:2023-03-16
Release date:2023-07-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:cGLRs are a diverse family of pattern recognition receptors in innate immunity.
Cell, 186, 2023
3O0X
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BU of 3o0x by Molmil
Structural basis of carbohydrate recognition by calreticulin
Descriptor: CALCIUM ION, Calreticulin, alpha-D-glucopyranose-(1-3)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose
Authors:Kozlov, G, Gehring, K.
Deposit date:2010-07-20
Release date:2010-09-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural basis of carbohydrate recognition by calreticulin.
J.Biol.Chem., 285, 2010
2WKE
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BU of 2wke by Molmil
Crystal structure of the Actinomadura R39 DD-peptidase inhibited by 6- beta-iodopenicillanate.
Descriptor: (3S)-2,2-dimethyl-3,4-dihydro-2H-1,4-thiazine-3,6-dicarboxylic acid, COBALT (II) ION, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, ...
Authors:Sauvage, E, Herman, R, Kerff, F, Charlier, P.
Deposit date:2009-06-10
Release date:2009-12-01
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis of the Inhibition of Class a Beta-Lactamases and Penicillin-Binding Proteins by 6-Beta-Iodopenicillanate.
J.Am.Chem.Soc., 131, 2009
3GOY
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BU of 3goy by Molmil
Crystal structure of human poly(adp-ribose) polymerase 14, catalytic fragment in complex with an inhibitor 3-aminobenzamide
Descriptor: 3-aminobenzamide, Poly [ADP-ribose] polymerase 14
Authors:Karlberg, T, Moche, M, Lehtio, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kotenyova, T, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Schutz, P, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2009-03-20
Release date:2009-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors.
Nat.Biotechnol., 30, 2012
4DTE
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BU of 4dte by Molmil
Crystal structure of zebrafish plasminogen activator inhibitor-1 (PAI-1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Serpin peptidase inhibitor, clade E (nexin, ...
Authors:Johansen, J.S.
Deposit date:2012-02-21
Release date:2013-03-27
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Protein conformational change delayed by steric hindrance from an N-linked glycan.
J.Mol.Biol., 425, 2013

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