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3HJC
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BU of 3hjc by Molmil
Crystal structure of the carboxy-terminal domain of HSP90 from Leishmania major, LmjF33.0312
Descriptor: Heat shock protein 83-1, SULFATE ION
Authors:Wernimont, A.K, Tempel, W, Walker, J, Lin, Y.H, Hutchinson, A, Mackenzie, F, Fairlamb, A, Kozieradzki, I, Cossar, D, Zhao, Y, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2009-05-21
Release date:2009-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the middle and carboxy-terminal domain of HSP90 from Leishmania major, LMJF33.0312
To be Published
3HJY
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BU of 3hjy by Molmil
Structure of a functional ribonucleoprotein pseudouridine synthase bound to a substrate RNA
Descriptor: 5'-R(*GP*GP*AP*GP*CP*GP*UP*GP*CP*GP*GP*UP*UP*U)-3', 5'-R(*GP*GP*GP*CP*UP*CP*CP*GP*GP*AP*AP*AP*CP*CP*GP*CP*GP*GP*CP*GP*C)-3', RNA (25-MER), ...
Authors:Liang, B, Zhou, J, Kahen, E, Terns, R.M, Terns, M.P, Li, H.
Deposit date:2009-05-22
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:Structure of a functional ribonucleoprotein pseudouridine synthase bound to a substrate RNA
Nat.Struct.Mol.Biol., 16, 2009
6QXL
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BU of 6qxl by Molmil
Crystal Structure of Pyruvate Kinase II (PykA) from Pseudomonas aeruginosa in complex with sodium malonate, magnesium and glucose-6-phosphate
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ...
Authors:Abdelhamid, Y, Brear, P, Welch, M.
Deposit date:2019-03-07
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Evolutionary plasticity in the allosteric regulator-binding site of pyruvate kinase isoform PykA fromPseudomonas aeruginosa.
J.Biol.Chem., 294, 2019
3HJW
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BU of 3hjw by Molmil
Structure of a functional ribonucleoprotein pseudouridine synthase bound to a substrate RNA
Descriptor: 5'-R(*GP*AP*GP*CP*GP*(FHU)P*GP*CP*GP*GP*UP*UP*U)-3', 50S ribosomal protein L7Ae, POTASSIUM ION, ...
Authors:Liang, B, Zhou, J, Kahen, E, Terns, R.M, Terns, M.P, Li, H.
Deposit date:2009-05-22
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of a functional ribonucleoprotein pseudouridine synthase bound to a substrate RNA
Nat.Struct.Mol.Biol., 16, 2009
3USC
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BU of 3usc by Molmil
Crystal Structure of E. coli hydrogenase-1 in a ferricyanide-oxidized form
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Volbeda, A, Fontecilla-Camps, J.C, Darnault, C.
Deposit date:2011-11-23
Release date:2012-03-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray crystallographic and computational studies of the O2-tolerant [NiFe]-hydrogenase 1 from Escherichia coli.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UTG
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BU of 3utg by Molmil
Crystal structure of Aspergillus fumigatus UDP galactopyranose mutase complexed with UDP in reduced state
Descriptor: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, UDP-galactopyranose mutase, ...
Authors:Dhatwalia, R, Singh, H, Tanner, J.J.
Deposit date:2011-11-25
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structures and Small-angle X-ray Scattering Analysis of UDP-galactopyranose Mutase from the Pathogenic Fungus Aspergillus fumigatus.
J.Biol.Chem., 287, 2012
3UV2
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BU of 3uv2 by Molmil
Crystal structure of the bromodomain of human nucleosome-remodeling factor subunit BPTF
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, bromodomain of human nucleosome-remodeling factor subunit BPTF
Authors:Filippakopoulos, P, Picaud, S, Keates, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2011-11-29
Release date:2012-01-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3UVC
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BU of 3uvc by Molmil
MMP12 in a complex with the dimeric adduct: 5-(5-phenylhydantoin)-5-phenylhydantoin
Descriptor: (4R,4'S)-4,4'-diphenyl-4,4'-biimidazolidine-2,2',5,5'-tetrone, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Derbyshire, D.J, Danielson, H, Nystrum, S.
Deposit date:2011-11-29
Release date:2013-01-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Characterization of fragments interacting with MMP-12
To be Published
3HKK
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BU of 3hkk by Molmil
Structure of human Leukotriene C4 synthase in complex with glutathione sulfonate
Descriptor: GLUTATHIONE SULFONIC ACID, Leukotriene C4 synthase, PALMITIC ACID, ...
Authors:Rinaldo-Matthis, A, Haeggstrom, J.Z.
Deposit date:2009-05-24
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Pre-steady state kinetics of human Leukotriene C4 synthase
To be Published
3V1L
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BU of 3v1l by Molmil
Crystal Structure of the S112A/H265Q mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400
Descriptor: 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, MALONIC ACID
Authors:Ghosh, S, Bolin, J.T.
Deposit date:2011-12-09
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Identification of an Acyl-Enzyme Intermediate in a meta-Cleavage Product Hydrolase Reveals the Versatility of the Catalytic Triad.
J.Am.Chem.Soc., 134, 2012
3UY6
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BU of 3uy6 by Molmil
BlaR1 sensor domain from Staphylococcus aureus with N439V mutation
Descriptor: GLYCEROL, Regulatory protein BlaR1, SULFATE ION
Authors:Baker, B.M, Borbulevych, O.Y.
Deposit date:2011-12-05
Release date:2012-02-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An amino acid position at crossroads of evolution of protein function: antibiotic sensor domain of BlaR1 protein from Staphylococcus aureus versus clasS D beta-lactamases
J.Biol.Chem., 287, 2012
3V2J
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BU of 3v2j by Molmil
Effect of Sucrose and Glycerol as Cryoprotectans, on the Inhibition of Human Carbonic Anhydrase II
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION
Authors:Aggarwal, M, McKenna, A.
Deposit date:2011-12-12
Release date:2012-12-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Effect of Sucrose and Glycerol as Cryoprotectans, on the Inhibition of Human Carbonic Anhydrase II
To be Published
3V3F
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BU of 3v3f by Molmil
Kinetic and structural studies of thermostabilized mutants of HCA II.
Descriptor: CHLORIDE ION, Carbonic anhydrase 2, ZINC ION
Authors:Boone, C.D, Fisher, S.Z, McKenna, R.
Deposit date:2011-12-13
Release date:2012-06-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Kinetic and structural characterization of thermostabilized mutants of human carbonic anhydrase II.
Protein Eng.Des.Sel., 25, 2012
3V4M
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BU of 3v4m by Molmil
Crystal structure of a RNA binding domain of a U2 small nuclear ribonucleoprotein auxiliary factor 2 (U2AF) from Mus musculus at 1.80 A resolution
Descriptor: CHLORIDE ION, SODIUM ION, Splicing factor U2AF 65 kDa subunit
Authors:Joint Center for Structural Genomics (JCSG), Partnership for T-Cell Biology (TCELL)
Deposit date:2011-12-15
Release date:2012-06-13
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a RNA binding domain of a U2 small nuclear ribonucleoprotein auxiliary factor 2 (U2AF) from Mus musculus at 1.80 A resolution
To be published
3V3J
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BU of 3v3j by Molmil
Kinetic and structural studies of thermostabilized mutants of HCA II.
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Boone, C.D, Fisher, S.Z, McKenna, R.
Deposit date:2011-12-13
Release date:2012-06-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Kinetic and structural characterization of thermostabilized mutants of human carbonic anhydrase II.
Protein Eng.Des.Sel., 25, 2012
3HKO
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BU of 3hko by Molmil
Crystal structure of a cdpk kinase domain from cryptosporidium Parvum, cgd7_40
Descriptor: Calcium/calmodulin-dependent protein kinase with a kinase domain and 2 calmodulin-like EF hands, GLYCEROL, MAGNESIUM ION, ...
Authors:Wernimont, A.K, Hutchinson, A, Wasney, G, Vedadi, M, MacKenzie, F, Kozieradzki, I, Cossar, D, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Botchkarev, A, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC)
Deposit date:2009-05-25
Release date:2009-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a cdpk kinase domain from cryptosporidium Parvum, cgd7_40
To be Published
3V4Z
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BU of 3v4z by Molmil
D-alanine--D-alanine ligase from Yersinia pestis
Descriptor: D-alanine--D-alanine ligase, DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL
Authors:Osipiuk, J, Nocek, B, Mulligan, R, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-12-15
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:D-alanine--D-alanine ligase from Yersinia pestis.
To be Published
3V58
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BU of 3v58 by Molmil
Crystal Structure of the B-phycoerythrin from the red algae Porphyridium Cruentum at pH5
Descriptor: PHYCOERYTHROBILIN, Phycoerythrin alpha subunit, Phycoerythrin beta subunit, ...
Authors:Camara-Artigas, A.
Deposit date:2011-12-16
Release date:2012-10-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:pH-dependent structural conformations of B-phycoerythrin from Porphyridium cruentum
Febs J., 279, 2012
3HR8
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BU of 3hr8 by Molmil
Crystal Structure of Thermotoga maritima RecA
Descriptor: Protein recA
Authors:Lee, S, Kim, T.G, Jeong, E.-Y, Ban, C, Jeon, W.-J, Min, K.I, Song, K.-M, Heo, S.-D, Ku, J.K.
Deposit date:2009-06-09
Release date:2010-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of RecA Protein from Thermotoga maritima MSB8
to be published
3V5T
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BU of 3v5t by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1299
Descriptor: 1-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(6-ethoxynaphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-12-16
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
8T5K
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BU of 8t5k by Molmil
Crystal structure of STING CTD in complex with BDW-OH
Descriptor: Stimulator of interferon genes protein, {[(4S)-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetic acid
Authors:Li, Y, Li, P, Sun, D.
Deposit date:2023-06-13
Release date:2023-07-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and Biological Evaluations of a Non-Nucleoside STING Agonist Specific for Human STING A230 Variants.
Biorxiv, 2023
8T5L
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BU of 8t5l by Molmil
Crystal structure of STING CTD in complex with 2'3'-cGAMP
Descriptor: Stimulator of interferon genes protein, cGAMP
Authors:Li, Y, Li, P, Sun, D.
Deposit date:2023-06-13
Release date:2023-07-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural and Biological Evaluations of a Non-Nucleoside STING Agonist Specific for Human STING A230 Variants.
Biorxiv, 2023
6D3X
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BU of 6d3x by Molmil
Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma
Descriptor: Plasminogen, Trypsin inhibitor 1
Authors:Law, R.H.P, Wu, G.
Deposit date:2018-04-17
Release date:2019-01-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma.
J. Med. Chem., 62, 2019
8STH
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BU of 8sth by Molmil
human STING with diABZI agonist 15
Descriptor: 1-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazole-5-carboxamide, Stimulator of interferon genes protein
Authors:Duvall, J.R, Bukhalid, R.A.
Deposit date:2023-05-10
Release date:2023-07-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Discovery and Optimization of a STING Agonist Platform for Application in Antibody Drug Conjugates.
J.Med.Chem., 66, 2023
8STI
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BU of 8sti by Molmil
human STING with agonist XMT-1616
Descriptor: 3-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-3H-imidazo[4,5-b]pyridine-6-carboxamide, Stimulator of interferon genes protein
Authors:Duvall, J.R, Bukhalid, R.A.
Deposit date:2023-05-10
Release date:2023-07-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery and Optimization of a STING Agonist Platform for Application in Antibody Drug Conjugates.
J.Med.Chem., 66, 2023

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