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9BEI
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BU of 9bei by Molmil
Cryo-EM structure of synthetic claudin-4 complex with Clostridium perfringens enterotoxin C-terminal domain, sFab COP-2, and Nanobody
Descriptor: Anti-fab nanobody, COP-2 Fab Heavy chain, COP-2 Fab Light chain, ...
Authors:Vecchio, A.J.
Deposit date:2024-04-15
Release date:2024-04-24
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (4.16 Å)
Cite:Computational design of soluble and functional membrane protein analogues.
Nature, 2024
8XGT
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BU of 8xgt by Molmil
Crystal structure of human secretory glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-hydroxyindolin-2-one
Descriptor: (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-oxidanyl-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-15
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.813 Å)
Cite:X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
8Z0U
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BU of 8z0u by Molmil
Human beta-catenin crystal structure
Descriptor: Catenin beta-1
Authors:Tim, F.
Deposit date:2024-04-10
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal protein human Beta-catenin
To Be Published
8UTG
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BU of 8utg by Molmil
An RNA G-Quadruplex from the NS5 gene in the West Nile Virus Genome
Descriptor: AMMONIUM ION, POTASSIUM ION, RNA (5'-R(*UP*AP*UP*GP*GP*AP*AP*GP*AP*GP*GP*CP*GP*GP*UP*UP*GP*GP*UP*AP*U)-3')
Authors:Terrell, J.R, Le, T.T, Wilson, W.D, Siemer, J.L.
Deposit date:2023-10-31
Release date:2024-06-19
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure of an RNA G-quadruplex from the West Nile virus genome.
Nat Commun, 15, 2024
8XGB
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BU of 8xgb by Molmil
Crystal structure of human secretory glutaminyl cyclase in complex with (S)-1-(1H-benzo[d]imidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one
Descriptor: (5~{S})-1-(3~{H}-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one, Glutaminyl-peptide cyclotransferase, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-15
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
8XBS
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BU of 8xbs by Molmil
C. elegans apo-SID1 structure
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gong, D.S.
Deposit date:2023-12-07
Release date:2024-06-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.21 Å)
Cite:Structural basis for double-stranded RNA recognition by SID1.
Nucleic Acids Res., 52, 2024
2DD1
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BU of 2dd1 by Molmil
Three consecutive sheared GA pairs in 5'GGUGGAGGCU/3'PCCAAAGCCG
Descriptor: 5'-R(*GP*CP*CP*GP*AP*AP*AP*CP*CP*(P5P))-3', 5'-R(*GP*GP*UP*GP*GP*AP*GP*GP*CP*U)-3'
Authors:Chen, G, Kennedy, S.D, Krugh, T.R, Turner, D.H.
Deposit date:2006-01-19
Release date:2006-06-13
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:An Alternating Sheared AA Pair and Elements of Stability for a Single Sheared Purine-Purine Pair Flanked by Sheared GA Pairs in RNA
Biochemistry, 45, 2006
2DC5
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BU of 2dc5 by Molmil
Crystal structure of mouse glutathione S-transferase, mu7 (GSTM7) at 1.6 A resolution
Descriptor: Glutathione S-transferase, mu 7
Authors:Kamo, S, Kishishita, S, Murayama, K, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-12-28
Release date:2006-06-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of mouse glutathione S-transferase, mu7 (GSTM7) at 1.6 A resolution
To be Published
2BY7
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BU of 2by7 by Molmil
Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection
Descriptor: BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ...
Authors:Leiros, H.-K.S, Timmins, J, Ravelli, R.B.G, McSweeney, S.M.
Deposit date:2005-07-29
Release date:2006-02-06
Last modified:2021-08-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Is Radiation Damage Dependent on the Dose-Rate Used During Macromolecular Crystallography Data Collection?
Acta Crystallogr.,Sect.D, 62, 2006
2BY6
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BU of 2by6 by Molmil
Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection
Descriptor: BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ...
Authors:Leiros, H.-K.S, Timmins, J, Ravelli, R.B.G, McSweeney, S.M.
Deposit date:2005-07-29
Release date:2006-02-06
Last modified:2021-08-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Is Radiation Damage Dependent on the Dose-Rate Used During Macromolecular Crystallography Data Collection?
Acta Crystallogr.,Sect.D, 62, 2006
2BYA
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BU of 2bya by Molmil
Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection
Descriptor: BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ...
Authors:Leiros, H.-K.S, Timmins, J, Ravelli, R.B.G, McSweeney, S.M.
Deposit date:2005-07-29
Release date:2006-02-06
Last modified:2021-08-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Is Radiation Damage Dependent on the Dose-Rate Used During Macromolecular Crystallography Data Collection?
Acta Crystallogr.,Sect.D, 62, 2006
2BY9
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BU of 2by9 by Molmil
Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection
Descriptor: BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ...
Authors:Leiros, H.-K.S, Timmins, J, Ravelli, R.B.G, McSweeney, S.M.
Deposit date:2005-07-29
Release date:2006-02-06
Last modified:2021-08-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Is Radiation Damage Dependent on the Dose-Rate Used During Macromolecular Crystallography Data Collection?
Acta Crystallogr.,Sect.D, 62, 2006
2BY5
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BU of 2by5 by Molmil
Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection
Descriptor: BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ...
Authors:Leiros, H.-K.S, Timmins, J, Ravelli, R.B.G, McSweeney, S.M.
Deposit date:2005-07-29
Release date:2006-02-06
Last modified:2021-08-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Is Radiation Damage Dependent on the Dose-Rate Used During Macromolecular Crystallography Data Collection?
Acta Crystallogr.,Sect.D, 62, 2006
2BY8
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BU of 2by8 by Molmil
Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection
Descriptor: BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ...
Authors:Leiros, H.-K.S, Timmins, J, Ravelli, R.B.G, McSweeney, S.M.
Deposit date:2005-07-29
Release date:2006-02-06
Last modified:2021-08-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Is Radiation Damage Dependent on the Dose-Rate Used During Macromolecular Crystallography Data Collection?
Acta Crystallogr.,Sect.D, 62, 2006
2C5K
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BU of 2c5k by Molmil
N-terminal domain of tlg1 complexed with N-terminus of vps51
Descriptor: SULFATE ION, T-SNARE AFFECTING A LATE GOLGI COMPARTMENT PROTEIN 1, VACUOLAR PROTEIN SORTING PROTEIN 51
Authors:Fridmann-Sirkis, Y, Kent, H.M, Lewis, M.J, Evans, P.R, Pelham, H.R.B.
Deposit date:2005-10-27
Release date:2006-01-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Analysis of the Interaction between the Snare Tlg1 and Vps51.
Traffic, 7, 2006
3R91
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BU of 3r91 by Molmil
Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity.
Descriptor: (6S)-4,6,15,15,18-pentamethyl-5,17-dioxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-12,8-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide, Heat shock protein HSP 90-alpha
Authors:Zapf, C.W, Bloom, J.D, McBean, J.L, Dushin, R.G, Nittoli, T, Otteng, M, Ingalls, C, Golas, J.M, Liu, H, Lucas, J, Boschelli, F, Vogan, E, Hu, Y, Levin, J.I.
Deposit date:2011-03-24
Release date:2011-05-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.579 Å)
Cite:Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity.
Bioorg.Med.Chem.Lett., 21, 2011
2DM6
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BU of 2dm6 by Molmil
Crystal structure of anti-configuration of indomethacin and leukotriene B4 12-hydroxydehydrogenase/15-oxo-prostaglandin 13-reductase complex
Descriptor: INDOMETHACIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent leukotriene B4 12-hydroxydehydrogenase, ...
Authors:Hori, T, Ishijima, J, Yokomizo, T, Ago, H, Shimizu, T, Miyano, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-04-20
Release date:2006-11-28
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of anti-configuration of indomethacin and leukotriene B4 12-hydroxydehydrogenase/15-oxo-prostaglandin 13-reductase complex reveals the structural basis of broad spectrum indomethacin efficacy
J.Biochem.(Tokyo), 140, 2006
3QR5
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BU of 3qr5 by Molmil
Structure of the first domain of a cardiac Ryanodine Receptor mutant with exon 3 deleted
Descriptor: Cardiac Ca2+ release channel
Authors:Lobo, P.A, Van Petegem, F.
Deposit date:2011-02-17
Release date:2011-06-08
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The deletion of exon 3 in the cardiac ryanodine receptor is rescued by beta strand switching.
Structure, 19, 2011
5U0G
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BU of 5u0g by Molmil
Identification of a New Zinc Binding Chemotype by Fragment Screening
Descriptor: (5R)-5-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione, 1,2-ETHANEDIOL, Carbonic anhydrase 2, ...
Authors:Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K.
Deposit date:2016-11-23
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
2C4J
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BU of 2c4j by Molmil
Human glutathione-S-transferase M2-2 T210S mutant in complex with glutathione-styrene oxide conjugate
Descriptor: GLUTATHIONE S-TRANSFERASE MU 2, L-GAMMA-GLUTAMYL-S-[(2S)-2-HYDROXY-2-PHENYLETHYL]-L-CYSTEINYLGLYCINE
Authors:Tars, K, Andersson, M, Ivarsson, Y, Olin, B, Mannervik, B.
Deposit date:2005-10-20
Release date:2005-10-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Alternative Mutations of a Positively Selected Residue Elicit Gain or Loss of Functionalities in Enzyme Evolution.
Proc.Natl.Acad.Sci.USA, 103, 2006
2BLW
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BU of 2blw by Molmil
Trypsin after a high dose X-ray "Burn"
Descriptor: BENZAMIDINE, CALCIUM ION, GLYCEROL, ...
Authors:Nanao, M.H, Ravelli, R.B.
Deposit date:2005-03-08
Release date:2005-09-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Improving Radiation-Damage Substructures for Rip.
Acta Crystallogr.,Sect.D, 61, 2005
5TS8
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BU of 5ts8 by Molmil
Z. MAYS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE
Descriptor: 1,2-ETHANEDIOL, 5,6-DIBROMOBENZOTRIAZOLE, ACETATE ION, ...
Authors:Winiewska, M, Kucinska, K, Czapinska, H, Piasecka, A, Bochtler, M, Poznanski, J.
Deposit date:2016-10-28
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:STRUCTURAL AND THERMODYNAMIC ANALYSIS OF 5,6-DIBROMOBENZOTRIAZOLE BINDING TO CASEIN KINASE 2 ALPHA
To Be Published
5TXY
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BU of 5txy by Molmil
Identification of a New Zinc Binding Chemotype of by Fragment Screening on human carbonic anhydrase
Descriptor: (5R)-5-phenyl-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, FORMIC ACID, ...
Authors:Ren, B, Peat, T.S, Poulsen, S.-A.
Deposit date:2016-11-17
Release date:2017-08-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.206 Å)
Cite:Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
5TYA
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BU of 5tya by Molmil
Identification of a New Zinc Binding Chemotype by Fragment Screening
Descriptor: (5R)-5-phenyl-1,3-thiazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION
Authors:Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K.
Deposit date:2016-11-18
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
5U0F
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BU of 5u0f by Molmil
Identification of a New Zinc Binding Chemotype by Fragment Screening
Descriptor: (5R)-5-[(2,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one, Carbonic anhydrase 2, ZINC ION
Authors:Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K.
Deposit date:2016-11-23
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017

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