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2KVJ
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BU of 2kvj by Molmil
NMR and MD solution structure of a Gamma-Methylated PNA duplex
Descriptor: Gamma-Modified Peptide Nucleic Acid
Authors:He, W, Crawford, M.J, Rapireddy, S, Madrid, M, Gil, R.R, Ly, D.H, Achim, C.
Deposit date:2010-03-15
Release date:2010-05-12
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:The structure of a gamma-modified peptide nucleic acid duplex.
Mol Biosyst, 6, 2010
2JUN
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BU of 2jun by Molmil
Structure of the MID1 tandem B-boxes reveals an interaction reminiscent of intermolecular RING heterodimers
Descriptor: Midline-1, ZINC ION
Authors:Tao, H, Singireddy, S, Jakkidi, M, Simmons, B.N, Short, K.M, Cox, T.C, Massiah, M.A.
Deposit date:2007-08-31
Release date:2008-03-04
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of the MID1 Tandem B-Boxes Reveals an Interaction Reminiscent of Intermolecular Ring Heterodimers
Biochemistry, 47, 2008
2DQ5
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BU of 2dq5 by Molmil
solution structure of the Mid1 B Box2 Chc(D/C)C2H2 Zinc-Binding Domain: insights into an evolutionary conserved ring fold
Descriptor: Midline-1, ZINC ION
Authors:Massiah, M.A, Matts, J.A.B, Short, K.M, Simmons, B.N, Singireddy, S, Zou, J, Cox, T.C.
Deposit date:2006-05-20
Release date:2007-04-03
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution Structure of the MID1 B-box2 CHC(D/C)C(2)H(2) Zinc-binding Domain: Insights into an Evolutionarily Conserved RING Fold
J.Mol.Biol., 369, 2007
3PNA
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BU of 3pna by Molmil
Crystal Structure of cAMP bound (91-244)RIa Subunit of cAMP-dependent Protein Kinase
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, GLYCEROL, cAMP-dependent protein kinase type I-alpha regulatory subunit
Authors:Kim, C, Taylor, S.
Deposit date:2010-11-18
Release date:2011-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.503 Å)
Cite:Cyclic AMP Analog Blocks Kinase Activation by Stabilizing Inactive Conformation: Conformational Selection Highlights a New Concept in Allosteric Inhibitor Design.
Mol Cell Proteomics, 10, 2011
3IIA
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BU of 3iia by Molmil
Crystal structure of apo (91-244) RIa subunit of cAMP-dependent protein kinase
Descriptor: GLYCEROL, cAMP-dependent protein kinase type I-alpha regulatory subunit
Authors:Sjoberg, T.J, Kim, C, Kornev, A.P, Taylor, S.S.
Deposit date:2009-07-31
Release date:2010-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Cyclic AMP analog blocks kinase activation by stabilizing inactive conformation: conformational selection highlights a new concept in allosteric inhibitor design.
Mol.Cell Proteomics, 10, 2011
4XHV
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BU of 4xhv by Molmil
Crystal structure of Drosophila Spinophilin-PDZ and a C-terminal peptide of Neurexin
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, LP20995p, ...
Authors:Driller, J.H, Muhammad, K.G.H, Reddy, S, Rey, U, Boehme, M.A, Hollmann, C, Ramesh, N, Depner, H, Luetzkendorf, J, Matkovic, T, Bergeron, D, Quentin, C, Schmoranzer, J, Goettfert, F, Holt, M, Wahl, M.C, Hell, S.W, Walter, A, Sigrist, S.J, Loll, B.
Deposit date:2015-01-06
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Presynaptic spinophilin tunes neurexin signalling to control active zone architecture and function.
Nat Commun, 6, 2015
7TRB
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BU of 7trb by Molmil
CRYSTAL STRUCTURE OF FARNESOID X-ACTIVATED RECEPTOR COMPLEXED WITH COMPOUND-32 AKA (1S,3S)-N-({4-[5-(2-FLUOROPR OPAN-2-YL)-1,2,4-OXADIAZOL-3-YL]BICYCLO[2.2.2]OCTAN-1-YL}M ETHYL)-3-HYDROXY-N-[4'-(2-HYDROXYPROPAN-2-YL)-[1,1'-BIPHEN YL]-3-YL]-3-(TRIFLUOROMETHYL)CYCLOBUTANE-1-CARBOXAMIDE
Descriptor: (1s,3s)-N-({4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]bicyclo[2.2.2]octan-1-yl}methyl)-3-hydroxy-N-[4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide, Bile acid receptor, co-activator
Authors:Khan, J.A, Ruzanov, M.
Deposit date:2022-01-28
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of BMS-986339, a Pharmacologically Differentiated Farnesoid X Receptor Agonist for the Treatment of Nonalcoholic Steatohepatitis.
J.Med.Chem., 65, 2022
7D5L
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BU of 7d5l by Molmil
Discovery of BMS-986144, a Third Generation, Pan Genotype NS3/4A Protease Inhibitor for the Treatment of Hepatitis C Virus Infection
Descriptor: NS3/4A Protease, ZINC ION, [1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate
Authors:Ghosh, K, Anumula, R, Kumar, A.
Deposit date:2020-09-26
Release date:2020-12-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of BMS-986144, a Third-Generation, Pan-Genotype NS3/4A Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 63, 2020
1QJZ
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BU of 1qjz by Molmil
Three Dimensional Structure of Physalis Mottle Virus : Implications for the Viral Assembly
Descriptor: COAT PROTEIN
Authors:Krishna, S.S, Hiremath, C.N, Munshi, S.K, Prahadeeswaran, D, Sastri, M, Savithri, H.S, Murthy, M.R.N.
Deposit date:1999-07-07
Release date:1999-07-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Three Dimensional Structure of Physalis Movirus: Implications for the Viral Assembly
J.Mol.Biol., 289, 1999
1E57
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BU of 1e57 by Molmil
PHYSALIS MOTTLE VIRUS: EMPTY CAPSID
Descriptor: PHYSALIS MOTTLE VIRUS
Authors:Krishna, S.S, Sastri, M, Savithri, H.S, Murthy, M.R.N.
Deposit date:2000-07-18
Release date:2001-04-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural Studies on the Empty Capsids of Physalis Mottle Virus
J.Mol.Biol., 307, 2001
1DIH
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BU of 1dih by Molmil
THREE-DIMENSIONAL STRUCTURE OF E. COLI DIHYDRODIPICOLINATE REDUCTASE
Descriptor: DIHYDRODIPICOLINATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Scapin, G, Blanchard, J.S, Sacchettini, J.C.
Deposit date:1994-09-14
Release date:1995-09-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Three-dimensional structure of Escherichia coli dihydrodipicolinate reductase.
Biochemistry, 34, 1995
3PA0
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BU of 3pa0 by Molmil
Crystal Structure of Chiral Gamma-PNA with Complementary DNA Strand: Insight Into the Stability and Specificity of Recognition an Conformational Preorganization
Descriptor: 1,2-ETHANEDIOL, DNA 5'-D(*AP*TP*CP*TP*GP*TP*GP*GP*TP*C)-3', PEPTIDE NUCLEIC ACID, ...
Authors:Yeh, J.I, Shivachev, B, Du, S.
Deposit date:2010-10-18
Release date:2010-12-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of chiral gammaPNA with complementary DNA strand: insights into the stability and specificity of recognition and conformational preorganization.
J.Am.Chem.Soc., 132, 2010

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