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3LN2
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BU of 3ln2 by Molmil
Crystal Structure of a Charge Engineered Human Lysozyme Variant
Descriptor: Lysozyme C
Authors:Gill, A, Scanlon, T.C, Griswold, K.E.
Deposit date:2010-02-01
Release date:2011-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.037 Å)
Cite:Crystal structure of a charge engineered human lysozyme having enhanced bactericidal activity.
Plos One, 6, 2011
3EN3
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BU of 3en3 by Molmil
Crystal Structure of the GluR4 Ligand-Binding domain in complex with kainate
Descriptor: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor 4,Glutamate receptor
Authors:Gill, A, Madden, D.R.
Deposit date:2008-09-25
Release date:2009-05-19
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Correlating AMPA receptor activation and cleft closure across subunits: crystal structures of the GluR4 ligand-binding domain in complex with full and partial agonists
Biochemistry, 47, 2008
3EPE
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BU of 3epe by Molmil
Crystal Structure of the GluR4 Ligand-Binding domain in complex with glutamate
Descriptor: GLUTAMIC ACID, Glutamate receptor 4,Glutamate receptor
Authors:Gill, A, Madden, D.R.
Deposit date:2008-09-29
Release date:2009-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Correlating AMPA receptor activation and cleft closure across subunits: crystal structures of the GluR4 ligand-binding domain in complex with full and partial agonists
Biochemistry, 47, 2008
3KEI
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BU of 3kei by Molmil
Crystal Structure of the GluA4 Ligand-Binding domain L651V mutant in complex with glutamate
Descriptor: GLUTAMIC ACID, Glutamate receptor 4
Authors:Gill, A, Madden, D.R.
Deposit date:2009-10-26
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Enhanced efficacy without further cleft closure: reevaluating twist as a source of agonist efficacy in AMPA receptors.
J.Neurosci., 30, 2010
3KFM
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BU of 3kfm by Molmil
Crystal Structure of the GluA4 Ligand-Binding domain L651V mutant in complex with kainate
Descriptor: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor 4
Authors:Gill, A, Madden, D.R.
Deposit date:2009-10-27
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Enhanced efficacy without further cleft closure: reevaluating twist as a source of agonist efficacy in AMPA receptors.
J.Neurosci., 30, 2010
1TL7
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BU of 1tl7 by Molmil
Complex Of Gs- With The Catalytic Domains Of Mammalian Adenylyl Cyclase: Complex With 2'(3')-O-(N-methylanthraniloyl)-guanosine 5'-triphosphate and Mn
Descriptor: 3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-5'-TRIPHOSPHATE, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Adenylate cyclase, ...
Authors:Mou, T.C, Gille, A, Seifert, R.J, Sprang, S.R.
Deposit date:2004-06-09
Release date:2004-12-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for the inhibition of mammalian membrane adenylyl cyclase by 2 '(3')-O-(N-Methylanthraniloyl)-guanosine 5 '-triphosphate.
J.Biol.Chem., 280, 2005
1U0H
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BU of 1u0h by Molmil
STRUCTURAL BASIS FOR THE INHIBITION OF MAMMALIAN ADENYLYL CYCLASE BY MANT-GTP
Descriptor: 3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-5'-TRIPHOSPHATE, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Adenylate cyclase, ...
Authors:Mou, T.C, Gille, A, Seifert, R.J, Sprang, S.R.
Deposit date:2004-07-13
Release date:2004-12-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for the inhibition of mammalian membrane adenylyl cyclase by 2 '(3')-O-(N-Methylanthraniloyl)-guanosine 5 '-triphosphate.
J.Biol.Chem., 280, 2005
7LBE
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BU of 7lbe by Molmil
CryoEM structure of the HCMV Trimer gHgLgO in complex with neutralizing fabs 13H11 and MSL-109
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein H, ...
Authors:Kschonsak, M, Rouge, L, Arthur, C.P, Hoangdung, H, Patel, N, Kim, I, Johnson, M, Kraft, E, Rohou, A.L, Gill, A, Martinez-Martin, N, Payandeh, J, Ciferri, C.
Deposit date:2021-01-07
Release date:2021-03-10
Last modified:2021-03-17
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structures of HCMV Trimer reveal the basis for receptor recognition and cell entry.
Cell, 184, 2021
7LBG
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BU of 7lbg by Molmil
CryoEM structure of the HCMV Trimer gHgLgO in complex with human Transforming growth factor beta receptor type 3 and neutralizing fabs 13H11 and MSL-109
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein H, ...
Authors:Kschonsak, M, Rouge, L, Arthur, C.P, Hoangdung, H, Patel, N, Kim, I, Johnson, M, Kraft, E, Rohou, A.L, Gill, A, Martinez-Martin, N, Payandeh, J, Ciferri, C.
Deposit date:2021-01-07
Release date:2021-03-10
Last modified:2021-03-17
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structures of HCMV Trimer reveal the basis for receptor recognition and cell entry.
Cell, 184, 2021
7LBF
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BU of 7lbf by Molmil
CryoEM structure of the HCMV Trimer gHgLgO in complex with human Platelet-derived growth factor receptor alpha and neutralizing fabs 13H11 and MSL-109
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein H, ...
Authors:Kschonsak, M, Rouge, L, Arthur, C.P, Hoangdung, H, Patel, N, Kim, I, Johnson, M, Kraft, E, Rohou, A.L, Gill, A, Martinez-Martin, N, Payandeh, J, Ciferri, C.
Deposit date:2021-01-07
Release date:2021-03-10
Last modified:2021-03-17
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structures of HCMV Trimer reveal the basis for receptor recognition and cell entry.
Cell, 184, 2021
1WBW
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BU of 1wbw by Molmil
Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation.
Descriptor: 3-(1-NAPHTHYLMETHOXY)PYRIDIN-2-AMINE, MITOGEN-ACTIVATED PROTEIN KINASE 14
Authors:Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H.
Deposit date:2004-11-05
Release date:2005-11-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation
J.Med.Chem., 48, 2005
1W82
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BU of 1w82 by Molmil
p38 Kinase crystal structure in complex with small molecule inhibitor
Descriptor: MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[(3Z)-5-TERT-BUTYL-2-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-YLIDENE]-N'-(4-CHLOROPHENYL)UREA
Authors:Tickle, J, Jhoti, H, Cleasby, A, Devine, L.
Deposit date:2004-09-16
Release date:2005-02-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation
J.Med.Chem., 48, 2005
2GVD
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BU of 2gvd by Molmil
Complex Of Gs- With The Catalytic Domains Of Mammalian Adenylyl Cyclase: Complex With TNP-ATP and Mn
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Adenylate cyclase type 2, Adenylate cyclase type 5, ...
Authors:Mou, T.-C, Sprang, S.R.
Deposit date:2006-05-02
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Broad specificity of Mammalian adenylyl cyclase for interaction with 2',3'-substituted purine- and pyrimidine nucleotide inhibitors.
Mol.Pharmacol., 70, 2006
2GVZ
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BU of 2gvz by Molmil
Crystal Structure of Complex of Gs- with The Catalytic Domains of Mammalian Adenylyl Cyclase: Complex with MANT-ATP and Mn
Descriptor: 3'-O-[2-(METHYLAMINO)BENZOYL]ADENOSINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Adenylate cyclase type 2, ...
Authors:Mou, T.-C, Sprang, S.R.
Deposit date:2006-05-03
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:Broad specificity of Mammalian adenylyl cyclase for interaction with 2',3'-substituted purine- and pyrimidine nucleotide inhibitors.
Mol.Pharmacol., 70, 2006
6THS
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BU of 6ths by Molmil
High resolution crystal structure of Leaf-branch cutinase S165A variant
Descriptor: 1,4-DIETHYLENE DIOXIDE, LCC
Authors:Nomme, J.
Deposit date:2019-11-21
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:An engineered PET depolymerase to break down and recycle plastic bottles.
Nature, 580, 2020
6THT
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BU of 6tht by Molmil
High resolution crystal structure of a Leaf-branch compost cutinase quintuple variant
Descriptor: CITRIC ACID, GLYCEROL, IMIDAZOLE, ...
Authors:Nomme, J.
Deposit date:2019-11-21
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:An engineered PET depolymerase to break down and recycle plastic bottles.
Nature, 580, 2020
1W7H
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BU of 1w7h by Molmil
p38 Kinase crystal structure in complex with small molecule inhibitor
Descriptor: 3-(BENZYLOXY)PYRIDIN-2-AMINE, MITOGEN-ACTIVATED PROTEIN KINASE 14
Authors:Jhoti, H, Gill, A, Cleasby, A, Devine, L.
Deposit date:2004-09-02
Release date:2005-02-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.214 Å)
Cite:Fragment-Based Lead Discovery Using X-Ray Crystallography
J.Med.Chem., 48, 2005
8BN8
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BU of 8bn8 by Molmil
METTL3-METTL14 heterodimer bound to the SAM competitive small molecule inhibitor STM3006
Descriptor: 2-[[4-(6-bromanyl-2~{H}-indazol-4-yl)-1,2,3-triazol-1-yl]methyl]-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine, N6-adenosine-methyltransferase catalytic subunit, N6-adenosine-methyltransferase non-catalytic subunit
Authors:Pilka, E.S, Thomas, B, Blackaby, W, Hardick, D, Feeney, K, Ridgill, M, Rotty, B, Rausch, O.
Deposit date:2022-11-13
Release date:2023-09-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.213 Å)
Cite:Inhibition of METTL3 Results in a Cell-Intrinsic Interferon Response That Enhances Antitumor Immunity.
Cancer Discov, 13, 2023
5EPM
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BU of 5epm by Molmil
Ceratotoxin variant in complex with specific antibody Fab fragment
Descriptor: Antibody Fab fragment heavy chain, Antibody Fab fragment light chain, Beta-theraphotoxin-Cm1a
Authors:Strop, P, Shcherbatko, A, Rossi, A.
Deposit date:2015-11-11
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Engineering Highly Potent and Selective Microproteins against Nav1.7 Sodium Channel for Treatment of Pain.
J.Biol.Chem., 291, 2016
4UNR
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BU of 4unr by Molmil
Mtb TMK in complex with compound 23
Descriptor: 4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-5,6-dihydro-1H-benzo[h]quinolin-4-yl]benzoic acid, MAGNESIUM ION, Thymidylate kinase
Authors:Read, J.A, Hussein, S, Gingell, H, Tucker, J.
Deposit date:2014-05-30
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4UNN
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BU of 4unn by Molmil
Mtb TMK in complex with compound 8
Descriptor: 4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]benzoic acid, THYMIDYLATE KINASE
Authors:Read, J.A, Hussein, S, Gingell, H, Tucker, J.
Deposit date:2014-05-29
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4UNP
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BU of 4unp by Molmil
Mtb TMK in complex with compound 34
Descriptor: 5-methyl-7-propyl-1,6-naphthyridin-2(1H)-one, THYMIDYLATE KINASE
Authors:Read, J.A, Hussein, S, Gingell, H, Tucker, J.
Deposit date:2014-05-30
Release date:2015-01-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4UNQ
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BU of 4unq by Molmil
Mtb TMK in complex with compound 36
Descriptor: 4-[(R)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile, SODIUM ION, THYMIDYLATE KINASE
Authors:Read, J.A, Hussein, S, Gingell, H, Tucker, J.
Deposit date:2014-05-30
Release date:2015-06-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4UNS
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BU of 4uns by Molmil
Mtb TMK in complex with compound 40
Descriptor: N-[4-(3-CYANO-7-ETHYL-5-METHYL-2-OXO-1H-1,6-NAPHTHYRIDIN-4-YL)PHENYL]METHANESULFONAMIDE, SODIUM ION, THYMIDYLATE KINASE
Authors:Read, J.A, Hussein, S, Gingell, H, Tucker, J.
Deposit date:2014-05-30
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
8G0M
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BU of 8g0m by Molmil
Structure of complex between TV6.6 and CD98hc ECD
Descriptor: 1,2-ETHANEDIOL, 4F2 cell-surface antigen heavy chain, TETRAETHYLENE GLYCOL, ...
Authors:Kariolis, M.S, Lexa, K, Liau, N.P.D, Srivastava, D, Tran, H, Wells, R.C.
Deposit date:2023-01-31
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:CD98hc is a target for brain delivery of biotherapeutics.
Nat Commun, 14, 2023

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