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7YJ7
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BU of 7yj7 by Molmil
Crystal structure of Stenoloma chusanum chalcone synthase 1 (ScCHS1) complex with Naringenin
Descriptor: NARINGENIN, chalcone synthase 1 (ScCHS1)
Authors:Li, J.X, Cheng, A.X, Zhang, P.
Deposit date:2022-07-19
Release date:2022-08-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Molecular and structural characterization of a promiscuous chalcone synthase from the fern species Stenoloma chusanum.
J Integr Plant Biol, 64, 2022
7XTQ
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BU of 7xtq by Molmil
Cryo-EM structure of the R399-bound GPBAR-Gs complex
Descriptor: G-protein coupled bile acid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Ma, L, Yang, F, Wu, X, Mao, C, Sun, J, Yu, X, Zhang, Y, Zhang, P.
Deposit date:2022-05-17
Release date:2022-07-06
Last modified:2022-08-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis and molecular mechanism of biased GPBAR signaling in regulating NSCLC cell growth via YAP activity.
Proc.Natl.Acad.Sci.USA, 119, 2022
1PGC
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BU of 1pgc by Molmil
NMR Solution Structure of an Oxaliplatin 1,2-d(GG) Intrastrand Cross-Link in a DNA Dodecamer Duplex
Descriptor: 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3', CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II)
Authors:Wu, Y, Pradhan, P, Havener, J, Chaney, S.G, Campbel, S.L.
Deposit date:2003-05-28
Release date:2004-07-06
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR solution structure of an oxaliplatin 1,2-d(GG) intrastrand cross-link in a DNA dodecamer duplex
J.Mol.Biol., 341, 2004
4R4J
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BU of 4r4j by Molmil
Crystal structure of complex sp_ASADH with 3-carboxypropyl-phthalic acid and Nicotinamide Adenine dinucleotide phosphate
Descriptor: 1,2-ETHANEDIOL, 3-(3-carboxypropyl)benzene-1,2-dicarboxylic acid, Aspartate-semialdehyde dehydrogenase, ...
Authors:Pavlovsky, A.G, Thangavelu, B, Bhansali, P, Viola, R.E.
Deposit date:2014-08-19
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
4R5H
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BU of 4r5h by Molmil
Crystal structure of sp-Aspartate-Semialdehyde-Dehydrogenase with Nicotinamide-Adenine-Dinucleotide-Phosphate and 3-carboxy-propenyl-phthalic acid
Descriptor: 1,2-ETHANEDIOL, 3-[(1E)-3-carboxyprop-1-en-1-yl]benzene-1,2-dicarboxylic acid, Aspartate-semialdehyde dehydrogenase, ...
Authors:Pavlovsky, A.G, Thangavelu, B, Bhansali, P, Viola, R.E.
Deposit date:2014-08-21
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
4RFS
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BU of 4rfs by Molmil
Structure of a pantothenate energy coupling factor transporter
Descriptor: Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, Energy-coupling factor transporter transmembrane protein EcfT, ...
Authors:Zhang, M, Bao, Z, Zhao, Q, Guo, H, Xu, K, Zhang, P.
Deposit date:2014-09-27
Release date:2014-12-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.232 Å)
Cite:Structure of a pantothenate transporter and implications for ECF module sharing and energy coupling of group II ECF transporters.
Proc.Natl.Acad.Sci.USA, 111, 2014
1TUX
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BU of 1tux by Molmil
HIGH RESOLUTION CRYSTAL STRUCTURE OF A THERMOSTABLE XYLANASE FROM THERMOASCUS AURANTIACUS
Descriptor: XYLANASE
Authors:Natesh, R, Bhanumoorthy, P, Vithayathil, P.J, Sekar, K, Ramakumar, S, Viswamitra, M.A.
Deposit date:1998-10-29
Release date:1999-07-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure at 1.8 A resolution and proposed amino acid sequence of a thermostable xylanase from Thermoascus aurantiacus.
J.Mol.Biol., 288, 1999
7VM8
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BU of 7vm8 by Molmil
Crystal structure of the MtDMI1 gating ring
Descriptor: Ion channel DMI1
Authors:Huang, X, Zhang, P.
Deposit date:2021-10-08
Release date:2022-08-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.034 Å)
Cite:Constitutive activation of a nuclear-localized calcium channel complex in Medicago truncatula.
Proc.Natl.Acad.Sci.USA, 119, 2022
4G91
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BU of 4g91 by Molmil
CCAAT-binding complex from Aspergillus nidulans
Descriptor: HAPB protein, HapE, Transcription factor HapC (Eurofung)
Authors:Huber, E.M, Scharf, D.H, Hortschansky, P, Groll, M, Brakhage, A.A.
Deposit date:2012-07-23
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:DNA Minor Groove Sensing and Widening by the CCAAT-Binding Complex.
Structure, 20, 2012
4PBX
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BU of 4pbx by Molmil
Crystal structure of the six N-terminal domains of human receptor protein tyrosine phosphatase sigma
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Receptor-type tyrosine-protein phosphatase S
Authors:Coles, C.H, Mitakidis, N, Zhang, P, Elegheert, J, Lu, W, Stoker, A.W, Nakagawa, T, Craig, A.M, Jones, E.Y, Aricescu, A.R.
Deposit date:2014-04-14
Release date:2014-11-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural basis for extracellular cis and trans RPTP sigma signal competition in synaptogenesis.
Nat Commun, 5, 2014
4PBW
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BU of 4pbw by Molmil
Crystal structure of chicken receptor protein tyrosine phosphatase sigma in complex with TrkC
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, NT-3 growth factor receptor, Protein-tyrosine phosphatase CRYPalpha1 isoform
Authors:Coles, C.H, Mitakidis, N, Zhang, P, Elegheert, J, Lu, W, Stoker, A.W, Nakagawa, T, Craig, A.M, Jones, E.Y, Aricescu, A.R.
Deposit date:2014-04-14
Release date:2014-11-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structural basis for extracellular cis and trans RPTP sigma signal competition in synaptogenesis.
Nat Commun, 5, 2014
2WTP
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BU of 2wtp by Molmil
Crystal Structure of Cu-form Czce from C. metallidurans CH34
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Haertlein, I, Girard, E, Sarret, G, Hazemann, J, Gourhant, P, Kahn, R, Coves, J.
Deposit date:2009-09-18
Release date:2010-08-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Evidence for Conformational Changes Upon Copper Binding to Cupriavidus Metallidurans Czce.
Biochemistry, 49, 2010
4PBV
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BU of 4pbv by Molmil
Crystal structure of chicken receptor protein tyrosine phosphatase sigma in complex with TrkC
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, NT-3 growth factor receptor, Protein-tyrosine phosphatase CRYPalpha1 isoform, ...
Authors:Coles, C.H, Mitakidis, N, Zhang, P, Elegheert, J, Lu, W, Stoker, A.W, Nakagawa, T, Craig, A.M, Jones, E.Y, Aricescu, A.R.
Deposit date:2014-04-14
Release date:2014-11-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for extracellular cis and trans RPTP sigma signal competition in synaptogenesis.
Nat Commun, 5, 2014
4B1D
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BU of 4b1d by Molmil
New Aminoimidazoles as BACE-1 Inhibitors: From Rational Design to Ab- lowering in Brain
Descriptor: (2S)-2-(4-methoxy-3,5-dimethylphenyl)-5-methyl-2-(3-pyrimidin-5-ylphenyl)-2H-imidazol-4-amine, ACETATE ION, BETA-SECRETASE 1
Authors:Rahm, F, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, von Berg, S, von Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Gravenfors, Y.
Deposit date:2012-07-10
Release date:2012-10-10
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:New aminoimidazoles as beta-secretase (BACE-1) inhibitors showing amyloid-beta (A beta ) lowering in brain.
J. Med. Chem., 55, 2012
4B1E
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BU of 4b1e by Molmil
New Aminoimidazoles as BACE-1 Inhibitors: From Rational Design to Ab- lowering in Brain
Descriptor: (2R)-2-methyl-5-phenyl-2-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-imidazol-4-amine, BETA-SECRETASE 1
Authors:Rahm, F, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, von Berg, S, von Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Gravenfors, Y.
Deposit date:2012-07-10
Release date:2012-10-10
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:New aminoimidazoles as beta-secretase (BACE-1) inhibitors showing amyloid-beta (A beta ) lowering in brain.
J. Med. Chem., 55, 2012
4AL0
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BU of 4al0 by Molmil
Crystal structure of Human PS-1
Descriptor: GLUTATHIONE, PALMITIC ACID, PROSTAGLANDIN E SYNTHASE, ...
Authors:Sjogren, T, Nord, J, Ek, M, Johansson, P, Liu, G, Geschwindner, S.
Deposit date:2012-02-29
Release date:2013-02-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Crystal Structure of Microsomal Prostaglandin E2 Synthase Provides Insight Into Diversity in the Mapeg Superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
4GH8
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BU of 4gh8 by Molmil
Crystal structure of a 'humanized' E. coli dihydrofolate reductase
Descriptor: CALCIUM ION, Dihydrofolate reductase, METHOTREXATE, ...
Authors:French, J.B, Liu, C.T, Hanoian, P, Pringle, T.H, Hammes-Schiffer, S, Benkovic, S.J.
Deposit date:2012-08-07
Release date:2013-06-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Functional significance of evolving protein sequence in dihydrofolate reductase from bacteria to humans.
Proc.Natl.Acad.Sci.USA, 110, 2013
2X98
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BU of 2x98 by Molmil
H.SALINARUM ALKALINE PHOSPHATASE
Descriptor: ALKALINE PHOSPHATASE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Wende, A, Johansson, P, Grininger, M, Oesterhelt, D.
Deposit date:2010-03-14
Release date:2010-05-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and Biochemical Characterization of a Halophilic Archaeal Alkaline Phosphatase.
J.Mol.Biol., 400, 2010
2WTO
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BU of 2wto by Molmil
Crystal Structure of Apo-form Czce from C. metallidurans CH34
Descriptor: CHLORIDE ION, MAGNESIUM ION, ORF131 PROTEIN
Authors:Haertlein, I, Girard, E, Sarret, G, Hazemann, J, Gourhant, P, Kahn, R, Coves, J.
Deposit date:2009-09-18
Release date:2010-08-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Evidence for Conformational Changes Upon Copper Binding to Cupriavidus Metallidurans Czce.
Biochemistry, 49, 2010
4AL1
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BU of 4al1 by Molmil
Crystal structure of Human PS-1 GSH-analog complex
Descriptor: L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine, PALMITIC ACID, PROSTAGLANDIN E SYNTHASE, ...
Authors:Sjogren, T, Nord, J, Ek, M, Johansson, P, Liu, G, Geschwindner, S.
Deposit date:2012-02-29
Release date:2013-02-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of Microsomal Prostaglandin E2 Synthase Provides Insight Into Diversity in the Mapeg Superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
4Q0X
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BU of 4q0x by Molmil
Crystal structure of non-neutralizing antibody in complex with Epitope II of HCV E2
Descriptor: Envelope glycoprotein E2, mAb 12 heavy chain, mAb 12 light chain
Authors:Deng, L, Zhang, P.
Deposit date:2014-04-02
Release date:2014-07-09
Last modified:2014-08-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discrete conformations of epitope II on the hepatitis C virus E2 protein for antibody-mediated neutralization and nonneutralization.
Proc.Natl.Acad.Sci.USA, 111, 2014
4B0Q
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BU of 4b0q by Molmil
Lead Generation of BACE1 Inhibitors by Coupling Non-amidine New Warheads to a Known Binding Scaffold
Descriptor: 2-[[3-(3-methoxyphenyl)phenyl]-(4-pyridyl)methyl]guanidine, ACETATE ION, BETA-SECRETASE 1
Authors:Pendrill, R, Kolmodin, K, Johansson, P, Plobeck, N.
Deposit date:2012-07-04
Release date:2013-07-24
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Lead Generation of Bace1 Inhibitors by Coupling Non-Amidine New Warheads to a Known Binding Scaffold
To be Published
4B1C
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BU of 4b1c by Molmil
New Aminoimidazoles as BACE-1 Inhibitors: From Rational Design to Ab- lowering in Brain
Descriptor: (2R)-2-cyclopropyl-5-methyl-2-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-2H-imidazol-4-amine, BETA-SECRETASE 1, DIMETHYL SULFOXIDE
Authors:Rahm, F, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, von Berg, S, von Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Gravenfors, Y.
Deposit date:2012-07-10
Release date:2012-10-10
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:New aminoimidazoles as beta-secretase (BACE-1) inhibitors showing amyloid-beta (A beta ) lowering in brain.
J. Med. Chem., 55, 2012
4G92
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BU of 4g92 by Molmil
CCAAT-binding complex from Aspergillus nidulans with DNA
Descriptor: DNA, HAPB protein, HapE, ...
Authors:Huber, E.M, Scharf, D.H, Hortschansky, P, Groll, M, Brakhage, A.A.
Deposit date:2012-07-23
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:DNA Minor Groove Sensing and Widening by the CCAAT-Binding Complex.
Structure, 20, 2012
4R5K
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BU of 4r5k by Molmil
Crystal structure of the DnaK C-terminus (Dnak-SBD-B)
Descriptor: CALCIUM ION, Chaperone protein DnaK, SULFATE ION
Authors:Leu, J.I, Zhang, P, Murphy, M.E, Marmorstein, R, George, D.L.
Deposit date:2014-08-21
Release date:2014-09-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7469 Å)
Cite:Structural Basis for the Inhibition of HSP70 and DnaK Chaperones by Small-Molecule Targeting of a C-Terminal Allosteric Pocket.
Acs Chem.Biol., 9, 2014

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