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4LQT
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1.10A resolution crystal structure of a superfolder green fluorescent protein (W57A) mutant
Descriptor: 1,2-ETHANEDIOL, Green fluorescent protein
Authors:Lovell, S, Xia, Y, Vo, B, Battaile, K.P, Egan, C, Karanicolas, J.
Deposit date:2013-07-19
Release date:2013-12-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The designability of protein switches by chemical rescue of structure: mechanisms of inactivation and reactivation.
J.Am.Chem.Soc., 135, 2013
4JLZ
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BU of 4jlz by Molmil
Structure of porcine cGAS in complex with bound UTP
Descriptor: MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE, Uncharacterized protein, ...
Authors:Civril, F, Hopfner, K.P.
Deposit date:2013-03-13
Release date:2013-06-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural mechanism of cytosolic DNA sensing by cGAS
Nature, 498, 2013
4JK5
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BU of 4jk5 by Molmil
Human urokinase-type Plasminogen Activator (uPA) in complex with a bicyclic peptide inhibitor (UK18-D-Ser)
Descriptor: 1,3,5-tris(bromomethyl)benzene, CHLORIDE ION, HEXAETHYLENE GLYCOL, ...
Authors:Buth, S.A, Leiman, P.G, Chen, S, Heinis, C.
Deposit date:2013-03-09
Release date:2013-07-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Improving binding affinity and stability of Peptide ligands by substituting glycines with d-amino acids.
Chembiochem, 14, 2013
4JJR
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BU of 4jjr by Molmil
A P21 crystal form of mammalian casein kinase 1 delta
Descriptor: Casein kinase I isoform delta
Authors:Zeringo, N.A, Bellizzi, J.J.
Deposit date:2013-03-08
Release date:2013-06-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4078 Å)
Cite:A monoclinic crystal form of casein kinase 1 delta
Acta Crystallogr.,Sect.F, 69, 2013
4LR2
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BU of 4lr2 by Molmil
Crystal Structure of Human ENPP4 (apo)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Bis(5'-adenosyl)-triphosphatase ENPP4, ...
Authors:Albright, R.A, Braddock, D.T.
Deposit date:2013-07-19
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular basis of purinergic signal metabolism by ectonucleotide pyrophosphatase/phosphodiesterases 4 and 1 and implications in stroke.
J.Biol.Chem., 289, 2014
1SGF
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BU of 1sgf by Molmil
CRYSTAL STRUCTURE OF 7S NGF: A COMPLEX OF NERVE GROWTH FACTOR WITH FOUR BINDING PROTEINS (SERINE PROTEINASES)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NERVE GROWTH FACTOR, ...
Authors:Bax, B.D.V, Blundell, T.L, Murray-Rust, J, Mcdonald, N.Q.
Deposit date:1997-08-08
Release date:1998-05-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structure of mouse 7S NGF: a complex of nerve growth factor with four binding proteins.
Structure, 5, 1997
1SHL
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BU of 1shl by Molmil
CASPASE-7 IN COMPLEX WITH FICA ALLOSTERIC INHIBITOR
Descriptor: 5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID-(2-MERCAPTO-ETHYL)-AMIDE, Caspase-7
Authors:Hardy, J.A, Lam, J, Nguyen, J.T, O'Brien, T, Wells, J.A.
Deposit date:2004-02-25
Release date:2004-08-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery of an allosteric site in the caspases
Proc.Natl.Acad.Sci.USA, 101, 2004
4KAI
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BU of 4kai by Molmil
HCV NS5B GT1B N316 with GSK5852A
Descriptor: HCV Polymerase, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
Authors:Williams, S.P, Kahler, K.M, Shotwell, J.B.
Deposit date:2013-04-22
Release date:2013-05-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
4KE5
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BU of 4ke5 by Molmil
HCV NS5B GT1B N316Y with GSK5852
Descriptor: HCV Polymerase, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
Authors:Williams, S.P, Kahler, K.M, Shotwell, J.B.
Deposit date:2013-04-25
Release date:2013-05-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
4KEJ
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BU of 4kej by Molmil
Crystal structure of mouse Ryanodine Receptor 2 (1-217) disease mutant R169Q
Descriptor: Ryanodine receptor 2
Authors:Kimlicka, L, Van Petegem, F.
Deposit date:2013-04-25
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.553 Å)
Cite:Type 2 Ryanodine Receptor Domain A Contains a Unique and Dynamic alpha-Helix That Transitions to a beta-Strand in a Mutant Linked with a Heritable Cardiomyopathy.
J.Mol.Biol., 425, 2013
1TBQ
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BU of 1tbq by Molmil
CRYSTAL STRUCTURE OF INSECT DERIVED DOUBLE DOMAIN KAZAL INHIBITOR RHODNIIN IN COMPLEX WITH THROMBIN
Descriptor: RHODNIIN, THROMBIN
Authors:Van De Locht, A, Lamba, D, Bode, W.
Deposit date:1995-03-02
Release date:1996-10-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Two heads are better than one: crystal structure of the insect derived double domain Kazal inhibitor rhodniin in complex with thrombin.
EMBO J., 14, 1995
4M14
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BU of 4m14 by Molmil
Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide]
Descriptor: 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4MA7
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BU of 4ma7 by Molmil
Crystal structure of mouse prion protein complexed with Promazine
Descriptor: Major prion protein, POM1 heavy chain, POM1 light chain, ...
Authors:Baral, P.K, Swayampakula, M, James, M.N.G.
Deposit date:2013-08-15
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural basis of prion inhibition by phenothiazine compounds.
Structure, 22, 2014
1UIO
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BU of 1uio by Molmil
ADENOSINE DEAMINASE (HIS 238 ALA MUTANT)
Descriptor: 6-HYDROXY-7,8-DIHYDRO PURINE NUCLEOSIDE, ADENOSINE DEAMINASE, ZINC ION
Authors:Wilson, D.K, Quiocho, F.A.
Deposit date:1996-08-30
Release date:1997-06-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Site-directed mutagenesis of histidine 238 in mouse adenosine deaminase: substitution of histidine 238 does not impede hydroxylate formation.
Biochemistry, 35, 1996
4LQI
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BU of 4lqi by Molmil
Yeast 20S Proteasome in complex with Vibralactone
Descriptor: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
Authors:List, A, Zeiler, E, Gallastegui, N, Rusch, M, Hedberg, C, Sieber, S.A, Groll, M.
Deposit date:2013-07-18
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Omuralide and Vibralactone: Differences in the Proteasome-beta-Lactone-gamma-Lactam Binding Scaffold Alter Target Preferences.
Angew.Chem.Int.Ed.Engl., 53, 2014
4M15
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BU of 4m15 by Molmil
Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide] and ADP
Descriptor: 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M0Y
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BU of 4m0y by Molmil
Crystal structure of ITK in complex with compound 1 [4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide]
Descriptor: 4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4MA8
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BU of 4ma8 by Molmil
Crystal structure of mouse prion protein complexed with Chlorpromazine
Descriptor: 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, Major prion protein, POM1 heavy chain, ...
Authors:Baral, P.K, Swayampakula, M, James, M.N.G.
Deposit date:2013-08-15
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of prion inhibition by phenothiazine compounds.
Structure, 22, 2014
4LQU
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BU of 4lqu by Molmil
1.60A resolution crystal structure of a superfolder green fluorescent protein (W57G) mutant
Descriptor: Green fluorescent protein
Authors:Lovell, S, Xia, Y, Vo, B, Battaile, K.P, Egan, C, Karanicolas, J.
Deposit date:2013-07-19
Release date:2013-12-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The designability of protein switches by chemical rescue of structure: mechanisms of inactivation and reactivation.
J.Am.Chem.Soc., 135, 2013
4LPH
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BU of 4lph by Molmil
Crystal structure of human FPPS in complex with CL03093
Descriptor: ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl)phosphonic acid, Farnesyl pyrophosphate synthase, PHOSPHATE ION
Authors:Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M.
Deposit date:2013-07-16
Release date:2014-06-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Multistage screening reveals chameleon ligands of the human farnesyl pyrophosphate synthase: implications to drug discovery for neurodegenerative diseases.
J.Med.Chem., 57, 2014
4M13
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BU of 4m13 by Molmil
Crystal structure of ITK in complex with compound 8 [4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide]
Descriptor: 4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4LV4
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BU of 4lv4 by Molmil
A noncompetitive inhibitor for M. tuberculosis's class IIa fructose 1,6-bisphosphate aldolase
Descriptor: 8-hydroxyquinoline-2-carboxylic acid, ACETATE ION, Fructose-bisphosphate aldolase, ...
Authors:Capodagli, G.C, Pegan, S.D.
Deposit date:2013-07-25
Release date:2014-01-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:A Noncompetitive Inhibitor for Mycobacterium tuberculosis's Class IIa Fructose 1,6-Bisphosphate Aldolase.
Biochemistry, 53, 2014
4M12
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BU of 4m12 by Molmil
Crystal structure of ITK in complex with compound 7 [4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide]
Descriptor: 4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
3ZTT
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BU of 3ztt by Molmil
Crystal structure of pneumococcal surface antigen PsaA with manganese
Descriptor: MANGANESE (II) ION, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN
Authors:McDevitt, C.A, Ogunniyi, A.D, Valkov, E, Lawrence, M.C, Kobe, B, McEwan, A.G, Paton, J.C.
Deposit date:2011-07-12
Release date:2011-12-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A molecular mechanism for bacterial susceptibility to zinc.
PLoS Pathog., 7, 2011
3ZR8
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BU of 3zr8 by Molmil
Crystal structure of RxLR effector Avr3a11 from Phytophthora capsici
Descriptor: AVR3A11, CHLORIDE ION, TRIETHYLENE GLYCOL
Authors:Boutemy, L.S, King, S.R.F, Win, J, Hughes, R.K, Clarke, T.A, Blumenschein, T.M.A, Kamoun, S, Banfield, M.J.
Deposit date:2011-06-15
Release date:2011-08-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Structures of Phytophthora Rxlr Effector Proteins: A Conserved But Adaptable Fold Underpins Functional Diversity.
J.Biol.Chem., 286, 2011

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