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3FU5
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BU of 3fu5 by Molmil
Leukotriene A4 hydrolase in complex with (5-thiophen-2-ylthiophen-2-yl)methylamine
Descriptor: 1-(2,2'-bithiophen-5-yl)methanamine, ACETATE ION, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FUJ
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BU of 3fuj by Molmil
Leukotriene A4 hydrolase in complex with 5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole
Descriptor: 5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole, ACETATE ION, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
6O9J
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BU of 6o9j by Molmil
70S Elongation Competent Ribosome
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Frank, J, Gonzalez Jr, R.L, Kaledhonkar, S, Fu, Z, Caban, K, Li, W, Chen, B, Sun, M.
Deposit date:2019-03-14
Release date:2019-05-29
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Late steps in bacterial translation initiation visualized using time-resolved cryo-EM.
Nature, 570, 2019
6ORL
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BU of 6orl by Molmil
RF1 pre-accommodated 70S complex at 24 ms
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Fu, Z, Indrisiunaite, G, Kaledhonkar, S, Shah, B, Sun, M, Chen, B, Grassucci, R.A, Ehrenberg, M, Frank, J.
Deposit date:2019-04-30
Release date:2019-06-19
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:The structural basis for release-factor activation during translation termination revealed by time-resolved cryogenic electron microscopy.
Nat Commun, 10, 2019
6UA3
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BU of 6ua3 by Molmil
Human Mcl-1 in complex with a modified Bim BH3 peptide
Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, modified Bim BH3 peptide
Authors:Mandal, T, Grant, R.A, Keating, A.E.
Deposit date:2019-09-10
Release date:2020-09-16
Method:X-RAY DIFFRACTION (1.552 Å)
Cite:Inhibitor peptides against Mcl-1 containing non-natural amino acids show potent apoptotic response.
To Be Published
6OV3
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BU of 6ov3 by Molmil
Crystal structure of human claudin-9 in complex with Clostridium perfringens entertoxin C-terminal domain in open form
Descriptor: Claudin-9, Heat-labile enterotoxin B chain
Authors:Vecchio, A.J, Stroud, R.M.
Deposit date:2019-05-06
Release date:2019-09-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Claudin-9 structures reveal mechanism for toxin-induced gut barrier breakdown.
Proc.Natl.Acad.Sci.USA, 116, 2019
6U09
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BU of 6u09 by Molmil
Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking
Descriptor: 3-{(1-oxo-1,2-dihydroisoquinolin-7-yl)[(pyridin-4-yl)methyl]sulfamoyl}benzene-1-sulfonyl fluoride, Eukaryotic translation initiation factor 4E
Authors:Wan, X.B, Shoichet, B.K, Taunton, J.
Deposit date:2019-08-13
Release date:2019-10-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking.
J.Am.Chem.Soc., 142, 2020
4D04
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BU of 4d04 by Molmil
Structure of the Cys65Asp mutant of phenylacetone monooxygenase: reduced state
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, HEXAETHYLENE GLYCOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Brondani, P.B, Dudek, H.M, Martinoli, C, Mattevi, A, Fraaije, M.W.
Deposit date:2014-04-24
Release date:2014-12-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Finding the Switch: Turning a Baeyer-Villiger Monooxygenase Into a Nadph Oxidase.
J.Am.Chem.Soc., 136, 2014
2OYH
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BU of 2oyh by Molmil
Crystal Structure of Fragment D of gammaD298,301A Fibrinogen with the Peptide Ligand Gly-His-Arg-Pro-Amide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Fibrinogen alpha chain, ...
Authors:Kostelansky, M.S, Gorkun, O.V, Lord, S.T.
Deposit date:2007-02-22
Release date:2007-05-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Probing the gamma2 Calcium-Binding Site: Studies with gammaD298,301A Fibrinogen Reveal Changes in the gamma294-301 Loop that Alter the Integrity of the "a" Polymerization Site.
Biochemistry, 46, 2007
3FYG
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BU of 3fyg by Molmil
CRYSTAL STRUCTURE OF TETRADECA-(3-FLUOROTYROSYL)-GLUTATHIONE S-TRANSFERASE
Descriptor: (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE, MU CLASS TETRADECA-(3-FLUOROTYROSYL)-GLUTATHIONE S-TRANSFERASE OF ISOENZYME
Authors:Xiao, G, Parsons, J.F, Armstrong, R.N, Gilliland, G.L.
Deposit date:1997-08-07
Release date:1999-06-01
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conformational changes in the crystal structure of rat glutathione transferase M1-1 with global substitution of 3-fluorotyrosine for tyrosine.
J.Mol.Biol., 281, 1998
6OWD
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BU of 6owd by Molmil
Arginine Containing Reengineered Coiled-Coiled Dimer to Examine the Impact of Proximal Cation Identity on Hydrophobically-Driven Assembly
Descriptor: CHLORIDE ION, R+7
Authors:Biok, N.A, Bingman, C.A, Gellman, S.H.
Deposit date:2019-05-09
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Retention of Coiled-Coil Dimer Formation in the Absence of Ion Pairing at Positions Flanking the Hydrophobic Core.
Biochemistry, 58, 2019
2OZU
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BU of 2ozu by Molmil
Crystal structure of human MYST histone acetyltransferase 3 in complex with acetylcoenzyme A
Descriptor: ACETAMIDE, ACETYL COENZYME *A, Histone acetyltransferase MYST3, ...
Authors:Min, J, Wu, H, Dombrovski, L, Bernstein, G, Dong, A, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2007-02-27
Release date:2007-03-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystal structure of human MYST histone acetyltransferase 3 in complex with acetylcoenzyme A
To be Published
6OER
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BU of 6oer by Molmil
Cryo-EM structure of mouse RAG1/2 NFC complex (DNA2)
Descriptor: CALCIUM ION, DNA (46-MER), DNA (57-MER), ...
Authors:Chen, X, Cui, Y, Zhou, Z.H, Yang, W, Gellert, M.
Deposit date:2019-03-27
Release date:2020-01-29
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Cutting antiparallel DNA strands in a single active site.
Nat.Struct.Mol.Biol., 27, 2020
3FXY
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BU of 3fxy by Molmil
Acidic Mammalian Chinase, Catalytic Domain
Descriptor: Acidic mammalian chitinase
Authors:Olland, A.M.
Deposit date:2009-01-21
Release date:2009-03-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Triad of polar residues implicated in pH specificity of acidic mammalian chitinase.
Protein Sci., 18, 2009
6U63
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BU of 6u63 by Molmil
Mcl-1 bound to compound 17
Descriptor: 2-{[(naphthalen-2-yl)sulfonyl]amino}-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Stuckey, J.A.
Deposit date:2019-08-29
Release date:2020-03-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
4CX7
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BU of 4cx7 by Molmil
Structure of human iNOS heme domain in complex with (R)-6-(3-AMINO-2-(5-(2-(6-AMINO-4- METHYLPYRIDIN-2-YL)ETHYL)PYRIDIN-3-YL)PROPYL)-4- METHYLPYRIDIN-2-AMINE
Descriptor: (R)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)propyl)-4-methylpyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-04-03
Release date:2014-08-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
4CZ1
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BU of 4cz1 by Molmil
Crystal structure of kynurenine formamidase from Bacillus anthracis complexed with 2-aminoacetophenone.
Descriptor: 2-aminoacetophenone, KYNURENINE FORMAMIDASE, MAGNESIUM ION, ...
Authors:Diaz-Saez, L, Srikannathasan, V, Zoltner, M, Hunter, W.N.
Deposit date:2014-04-16
Release date:2014-04-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structure of Bacterial Kynurenine Formamidase Reveals a Crowded Binuclear-Zinc Catalytic Site Primed to Generate a Potent Nucleophile.
Biochem.J., 462, 2014
6U73
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BU of 6u73 by Molmil
Human Angiopoietin-Like 4 C-Terminal Domain (cANGPTL4) with Myristic Acid
Descriptor: Angiopoietin-related protein 4, MYRISTIC ACID
Authors:Tarver, C.L, Yuan, Q, Singhal, A.J, Ramaker, R, Cooper, S, Pusey, M.L.
Deposit date:2019-08-31
Release date:2019-10-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Crystal Structures of Angiopoietin-Like 4s C-Terminal Domain (cANGPTL4) Reveal a Binding Site for Various Ligands
To Be Published
4D1O
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BU of 4d1o by Molmil
Structure of human endothelial nitric oxide synthase heme domain with L-Arg bound
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-05-02
Release date:2014-10-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.819 Å)
Cite:Structures of Human Constitutive Nitric Oxide Synthases
Acta Crystallogr.,Sect.D, 70, 2014
2PF1
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BU of 2pf1 by Molmil
STRUCTURE OF BOVINE PROTHROMBIN FRAGMENT 1 REFINED AT 2.25 ANGSTROMS RESOLUTION
Descriptor: PROTHROMBIN FRAGMENT 1
Authors:Seshadri, T.P, Tulinsky, A, Skrzypczak-Jankun, E, Park, C.H.
Deposit date:1992-09-17
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of bovine prothrombin fragment 1 refined at 2.25 A resolution.
J.Mol.Biol., 220, 1991
4D6T
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BU of 4d6t by Molmil
Cytochrome bc1 bound to the 4(1H)-pyridone GW844520
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 3-chloro-2,6-dimethyl-5-{4-[4-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol, CARDIOLIPIN, ...
Authors:Capper, M.J, O'Neill, P.M, Fisher, N, Strange, R.W, Moss, D, Ward, S.A, Berry, N.G, Lawrenson, A.S, Hasnain, S.S, Biagini, G.A, Antonyuk, S.V.
Deposit date:2014-11-14
Release date:2015-01-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.57 Å)
Cite:Antimalarial 4(1H)-Pyridones Bind to the Qi Site of Cytochrome Bc1.
Proc.Natl.Acad.Sci.USA, 112, 2015
3FTV
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BU of 3ftv by Molmil
Leukotriene A4 hydrolase in complex with fragment N-(pyridin-3-ylmethyl)aniline
Descriptor: IMIDAZOLE, Leukotriene A-4 hydrolase, N-(pyridin-3-ylmethyl)aniline, ...
Authors:Davies, D.R.
Deposit date:2009-01-13
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FUM
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BU of 3fum by Molmil
Leukotriene A4 hydrolase in complex with (R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
Descriptor: (R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol, ACETATE ION, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
6U72
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BU of 6u72 by Molmil
BRD4-BD1 in complex with the cyclic peptide 3.1_2_AcK5toA
Descriptor: 3.1_2_AcK5toA, AMINO GROUP, Bromodomain-containing protein 4
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P, Mouradian, K.S.
Deposit date:2019-08-31
Release date:2020-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6UC4
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BU of 6uc4 by Molmil
Barbed end side of a cofilactin cluster
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Huehn, A.R, Bibeau, J.P, Schramm, A.C, Cao, W, De La Cruz, E.M, Sindelar, C.V.
Deposit date:2019-09-13
Release date:2020-01-01
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (9.2 Å)
Cite:Structures of cofilin-induced structural changes reveal local and asymmetric perturbations of actin filaments.
Proc.Natl.Acad.Sci.USA, 117, 2020

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