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7YYC
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BU of 7yyc by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 16
Descriptor: 2-indol-1-ylethanoic acid, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, Coyne, A.G, Blundell, T.L.
Deposit date:2022-02-17
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YWM
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BU of 7ywm by Molmil
Crystal structure of Mycobacterium abcessus Phosphopantetheine adenylyltransferase in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, Coyne, A.G, Blundell, T.L.
Deposit date:2022-02-14
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.624 Å)
Cite:Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YY2
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BU of 7yy2 by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Compound 20
Descriptor: 5-[3-(1~{H}-indol-3-yl)propoxy]-1-phenyl-pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, Coyne, A.G, Blundell, T.L.
Deposit date:2022-02-17
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.598 Å)
Cite:Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YY7
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BU of 7yy7 by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 11
Descriptor: 3-hydroxynaphthalene-2-carboxylic acid, Phosphopantetheine adenylyltransferase, SULFATE ION
Authors:Thomas, S.E, Coyne, A.G, Blundell, T.L.
Deposit date:2022-02-17
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.538 Å)
Cite:Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YY8
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BU of 7yy8 by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 12
Descriptor: (2R)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid, 3-(INDOL-3-YL) LACTATE, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, Coyne, A.G, Blundell, T.L.
Deposit date:2022-02-17
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.516 Å)
Cite:Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YY4
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BU of 7yy4 by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 8
Descriptor: 6-fluoranylnaphthalene-2-carboxylic acid, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, Coyne, A.G, Blundell, T.L.
Deposit date:2022-02-17
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.671 Å)
Cite:Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YYA
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BU of 7yya by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 14
Descriptor: 3-indol-1-ylpropanoic acid, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, Coyne, A.G, Blundell, T.L.
Deposit date:2022-02-17
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.807 Å)
Cite:Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YXZ
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BU of 7yxz by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Coenzyme A
Descriptor: COENZYME A, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, Coyne, A.G, Blundell, T.L.
Deposit date:2022-02-17
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.779 Å)
Cite:Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
5HJG
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BU of 5hjg by Molmil
Crystal Structure of Human Transthyretin in Complex with Tetrabromobisphenol A (TBBPA)
Descriptor: 4,4'-propane-2,2-diylbis(2,6-dibromophenol), SODIUM ION, Transthyretin
Authors:Begum, A, Iakovleva, I, Brannstrom, K, Zhang, J, Andersson, P, Olofsson, A, Sauer-Eriksson, A.E.
Deposit date:2016-01-13
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Tetrabromobisphenol A Is an Efficient Stabilizer of the Transthyretin Tetramer.
Plos One, 11, 2016
7SDD
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BU of 7sdd by Molmil
Structure of the PTP-like myo-inositol phosphatase from Legionella pneumophila str. Paris in complex with myo-inositol-(1,3,4,5)-tetrakisphosphate
Descriptor: INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, Myo-inositol phosphohydrolase
Authors:Cleland, C.P, Mosimann, S.C.
Deposit date:2021-09-29
Release date:2022-10-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of the PTP-like myo-inositol phosphatase from Legionella pneumophila str. Paris in complex with myo-inositol-(1,3,4,5)-tetrakisphosphate
To Be Published
3VUQ
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BU of 3vuq by Molmil
Crystal structure of TTHA0167, a transcriptional regulator, TetR/AcrR family from Thermus thermophilus HB8
Descriptor: Transcriptional regulator (TetR/AcrR family)
Authors:Agari, Y, Sakamoto, K, Agari, K, Kuramitsu, S, Shinkai, A.
Deposit date:2012-07-04
Release date:2013-02-27
Last modified:2013-12-25
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure and function of a TetR family transcriptional regulator, SbtR, from thermus thermophilus HB8
Proteins, 81, 2013
6ECR
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BU of 6ecr by Molmil
The human methylenetetrahydrofolate dehydrogenase/cyclohydrolase (FolD) complexed with NADP
Descriptor: ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, methylenetetrahydrofolate dehydrogenase cyclohydrolase
Authors:Bueno, R.V, Dawson, A, Hunter, W.N.
Deposit date:2018-08-08
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An assessment of three human methylenetetrahydrofolate dehydrogenase/cyclohydrolase-ligand complexes following further refinement.
Acta Crystallogr F Struct Biol Commun, 75, 2019
2FR5
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BU of 2fr5 by Molmil
Crystal Structure of Mouse Cytidine Deaminase Complexed with Tetrahydrouridine
Descriptor: Cytidine deaminase, SULFATE ION, TETRAHYDROURIDINE, ...
Authors:Teh, A.H.
Deposit date:2006-01-19
Release date:2006-07-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:The 1.48 A Resolution Crystal Structure of the Homotetrameric Cytidine Deaminase from Mouse
Biochemistry, 45, 2006
4UYH
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BU of 4uyh by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1-((2R,4S)-2-methyl-4-(phenylamino)-6-(4-(piperidin-1-ylmethyl)phenyl)-3,4-dihydroquinolin-1(2H)-yl)ethanone
Descriptor: 1-[(2S,4R)-2-methyl-4-(phenylamino)-6-[4-(piperidin-1-ylmethyl)phenyl]-3,4-dihydroquinolin-1(2H)-yl]ethanone, BROMODOMAIN-CONTAINING PROTEIN 2, DIMETHYL SULFOXIDE, ...
Authors:Chung, C, Bamborough, P, Gosmini, R.
Deposit date:2014-08-31
Release date:2014-10-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:The Discovery of I-Bet726 (Gsk1324726A), a Potent Tetrahydroquinoline Apoa1 Up-Regulator and Selective Bet Bromodomain Inhibitor.
J.Med.Chem., 57, 2014
4PQN
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BU of 4pqn by Molmil
ITK kinase domain with compound GNE-9822
Descriptor: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, N-{1-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:McEwan, P.A, Barker, J.J, Eigenbrot, C.
Deposit date:2014-03-03
Release date:2014-07-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Property- and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible T-cell kinase inhibitors.
J.Med.Chem., 57, 2014
6V4J
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BU of 6v4j by Molmil
Structure of TrkH-TrkA in complex with ATP
Descriptor: Potassium uptake protein TrkA, Trk system potassium uptake protein TrkH
Authors:Zhou, M, Zhang, H.
Deposit date:2019-11-27
Release date:2020-02-12
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:TrkA undergoes a tetramer-to-dimer conversion to open TrkH which enables changes in membrane potential.
Nat Commun, 11, 2020
6V4L
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BU of 6v4l by Molmil
Structure of TrkH-TrkA in complex with ATPgammaS
Descriptor: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Potassium uptake protein TrkA, Trk system potassium uptake protein TrkH
Authors:Zhou, M, Zhang, H.
Deposit date:2019-11-27
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:TrkA undergoes a tetramer-to-dimer conversion to open TrkH which enables changes in membrane potential.
Nat Commun, 11, 2020
6V4K
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BU of 6v4k by Molmil
Structure of TrkH-TrkA in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Potassium transporter peripheral membrane component, Trk system potassium uptake protein
Authors:Zhou, M, Zhang, H.
Deposit date:2019-11-27
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.53004146 Å)
Cite:TrkA undergoes a tetramer-to-dimer conversion to open TrkH which enables changes in membrane potential.
Nat Commun, 11, 2020
3L03
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BU of 3l03 by Molmil
Crystal Structure of human Estrogen Receptor alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II peptide and Estetrol (Estra-1,3,5(10)-triene-3,15 alpha,16alpha,17beta-tetrol)
Descriptor: (14beta,15alpha,16alpha,17alpha)-estra-1,3,5(10)-triene-3,15,16,17-tetrol, CHLORIDE ION, Estrogen receptor, ...
Authors:Rajan, S.S, Kim, Y, Vanek, K, Joachimiak, A, Greene, G.L.
Deposit date:2009-12-09
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:Crystal Structure of human Estrogen Receptor alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II peptide and Estra-1,3,5(10)-triene-3,15 alpha,16alpha,17beta-tetrol
To be Published
5TEN
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BU of 5ten by Molmil
Structure of 4-Hydroxy-tetrahydrodipicolinate Reductase from Vibrio vulnificus with 2,5 Furan Dicarboxylic and NADH with Intact Polyhistidine Tag
Descriptor: 2,5 Furan Dicarboxylic Acid, 4-hydroxy-tetrahydrodipicolinate reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Mank, N, Pote, S, Arnette, K, Klapper, V, Chruszcz, M.
Deposit date:2016-09-22
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Comparative structural and mechanistic studies of 4-hydroxy-tetrahydrodipicolinate reductases from Mycobacterium tuberculosis and Vibrio vulnificus.
Biochim Biophys Acta Gen Subj, 1865, 2021
5TJZ
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BU of 5tjz by Molmil
Structure of 4-Hydroxytetrahydrodipicolinate Reductase from Mycobacterium tuberculosis with NADPH and 2,6 Pyridine Dicarboxylic Acid
Descriptor: 1,2-ETHANEDIOL, 2-(2-ETHOXYETHOXY)ETHANOL, 4-hydroxy-tetrahydrodipicolinate reductase, ...
Authors:Mank, N.J, Arnette, A.K, Klapper, V, Chruszcz, M.
Deposit date:2016-10-05
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Comparative structural and mechanistic studies of 4-hydroxy-tetrahydrodipicolinate reductases from Mycobacterium tuberculosis and Vibrio vulnificus.
Biochim Biophys Acta Gen Subj, 1865, 2021
5JR5
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BU of 5jr5 by Molmil
RHCC in Complex with Elemental Sulfur
Descriptor: SULFATE ION, Tetrabrachion, octathiocane
Authors:McDougall, M, Meier, M, Stetefeld, J.
Deposit date:2016-05-05
Release date:2017-05-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Archaea S-layer nanotube from a "black smoker" in complex with cyclo-octasulfur (S8 ) rings.
Proteins, 85, 2017
6CRD
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BU of 6crd by Molmil
INFLUENZA VIRUS NEURAMINIDASE SUBTYPE N9 (TERN) with tetrabrachion (TB) domain stalk
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Tetrabrachion,Neuraminidase, ...
Authors:Streltsov, V.A, Schmidt, P, McKimm-Breschkin, J.
Deposit date:2018-03-16
Release date:2019-01-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Structure of an Influenza A virus N9 neuraminidase with a tetrabrachion-domain stalk.
Acta Crystallogr.,Sect.F, 75, 2019
4WKM
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BU of 4wkm by Molmil
AmpR effector binding domain from Citrobacter freundii bound to UDP-MurNAc-pentapeptide
Descriptor: ALA-FGA-API-DAL-DAL, GLYCEROL, LysR family transcriptional regulator, ...
Authors:Vadlamani, G, Reeve, T.M, Mark, B.L.
Deposit date:2014-10-02
Release date:2014-12-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The beta-Lactamase Gene Regulator AmpR Is a Tetramer That Recognizes and Binds the d-Ala-d-Ala Motif of Its Repressor UDP-N-acetylmuramic Acid (MurNAc)-pentapeptide.
J.Biol.Chem., 290, 2015
4JJK
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BU of 4jjk by Molmil
Crystal Structure of N10-Formyltetrahydrofolate Synthetase with Folate
Descriptor: 1,2-ETHANEDIOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, FOLIC ACID, ...
Authors:Celeste, L.R, Lovelace, L.L, Lebioda, L.
Deposit date:2013-03-08
Release date:2013-03-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mechanism of N10-formyltetrahydrofolate synthetase derived from complexes with intermediates and inhibitors.
Protein Sci., 21, 2012

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