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3KFN
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HIV Protease (PR) with inhibitor TL-3 and fragment hit 4D9 by soaking
Descriptor: (1S,2S)-2-methylcyclohexanol, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
Authors:Stout, C.D.
Deposit date:2009-10-27
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
6VBH
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BU of 6vbh by Molmil
Human XPG endonuclease catalytic domain
Descriptor: DNA repair protein complementing XP-G cells,Flap endonuclease 1, SULFATE ION
Authors:Tsutakawa, S.E, Arvai, A.S, Tainer, J.A.
Deposit date:2019-12-18
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:Human XPG nuclease structure, assembly, and activities with insights for neurodegeneration and cancer from pathogenic mutations.
Proc.Natl.Acad.Sci.USA, 117, 2020
3KGU
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Wild type human transthyretin (TTR) complexed with genistein (TTRwt:GEN) pH 7.5
Descriptor: GENISTEIN, Transthyretin
Authors:Trivella, D.B, Polikarpov, I.
Deposit date:2009-10-29
Release date:2010-03-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Conformational differences between the wild type and V30M mutant transthyretin modulate its binding to genistein: implications to tetramer stability and ligand-binding.
J.Struct.Biol., 170, 2010
3KC1
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BU of 3kc1 by Molmil
Crystal structure of human liver FBPase in complex with tricyclic inhibitor 19a
Descriptor: Fructose-1,6-bisphosphatase 1, {[(7-carbamoyl-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
Authors:Takahashi, M, Sone, J, Hanzawa, H.
Deposit date:2009-10-20
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-based drug design of tricyclic 8H-indeno[1,2-d][1,3]thiazoles as potent FBPase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3KCT
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CRYSTAL STRUCTURE OF PAmCherry1 in the photoactivated state
Descriptor: PAmCherry1 protein
Authors:Malashkevich, V.N, Subach, F.V, Zencheck, W.D, Xiao, H, Filonov, G.S, Almo, S.C, Verkhusha, V.V.
Deposit date:2009-10-21
Release date:2009-11-17
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Photoactivation mechanism of PAmCherry based on crystal structures of the protein in the dark and fluorescent states.
Proc.Natl.Acad.Sci.USA, 106, 2009
3KH1
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Crystal structure of Predicted metal-dependent phosphohydrolase (ZP_00055740.2) from Magnetospirillum magnetotacticum MS-1 at 1.37 A resolution
Descriptor: ACETATE ION, CALCIUM ION, Predicted metal-dependent phosphohydrolase, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-10-29
Release date:2009-11-24
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Crystal structure of Predicted metal-dependent phosphohydrolase (ZP_00055740.2) from Magnetospirillum magnetotacticum MS-1 at 1.37 A resolution ;
To be published
3KDT
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BU of 3kdt by Molmil
Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-(methoxycarbonyl)glycine
Descriptor: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-(methoxycarbonyl)glycine, Peroxisome proliferator-activated receptor alpha
Authors:Muckelbauer, J.K.
Deposit date:2009-10-23
Release date:2010-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010
3KJ2
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Mcl-1 in complex with Bim BH3 mutant F4aE
Descriptor: ACETATE ION, Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ...
Authors:Fire, E, Grant, R.A, Keating, A.E.
Deposit date:2009-11-02
Release date:2010-02-16
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Mcl-1-Bim complexes accommodate surprising point mutations via minor structural changes.
Protein Sci., 19, 2010
3KJH
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Zn-bound state of CooC1
Descriptor: CO dehydrogenase/acetyl-CoA synthase complex, accessory protein CooC, ZINC ION
Authors:Jeoung, J.-H, Dobbek, H.
Deposit date:2009-11-03
Release date:2010-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the ATP-Dependent Maturation Factor of Ni,Fe-Containing Carbon Monoxide Dehydrogenases
J.Mol.Biol., 396, 2010
3KJO
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BU of 3kjo by Molmil
Crystal Structure of hPOT1V2-dTrUd(AGGGTTAG)
Descriptor: DNA/RNA (5'-D(*T)-R(P*U)-D(P*AP*GP*GP*GP*TP*TP*AP*G)-3'), Protection of telomeres protein 1
Authors:Nandakumar, J, Cech, T.R, Podell, E.R.
Deposit date:2009-11-03
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:How telomeric protein POT1 avoids RNA to achieve specificity for single-stranded DNA.
Proc.Natl.Acad.Sci.USA, 107, 2010
3KE3
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BU of 3ke3 by Molmil
Crystal structure of Putative serine-pyruvate aminotransferase (YP_263484.1) from PSYCHROBACTER ARCTICUM 273-4 at 2.20 A resolution
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Putative serine-pyruvate aminotransferase, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-10-23
Release date:2009-11-03
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Putative serine-pyruvate aminotransferase (YP_263484.1) from PSYCHROBACTER ARCTICUM 273-4 at 2.20 A resolution
To be published
2QTB
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BU of 2qtb by Molmil
Human dipeptidyl peptidase iv/cd26 in complex with a 4-aryl cyclohexylalanine inhibitor
Descriptor: (2S,3S)-3-AMINO-4-(3,3-DIFLUOROPYRROLIDIN-1-YL)-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-6-YLCYCLOHEXYL)BUTANAMIDE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scapin, G.
Deposit date:2007-08-01
Release date:2007-11-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:4-Arylcyclohexylalanine analogs as potent, selective, and orally active inhibitors of dipeptidyl peptidase IV.
Bioorg.Med.Chem.Lett., 17, 2007
2R46
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BU of 2r46 by Molmil
Crystal structure of Escherichia coli Glycerol-3-phosphate Dehydrogenase in complex with 2-phosphopyruvic acid.
Descriptor: 1,2-ETHANEDIOL, Aerobic glycerol-3-phosphate dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Yeh, J.I, Du, S, Chinte, U.
Deposit date:2007-08-30
Release date:2008-04-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of glycerol-3-phosphate dehydrogenase, an essential monotopic membrane enzyme involved in respiration and metabolism
Proc.Natl.Acad.Sci.USA, 105, 2008
3KB3
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BU of 3kb3 by Molmil
Crystal structure of abscisic acid-bound PYL2 in complex with HAB1
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, MAGNESIUM ION, Protein phosphatase 2C 16, ...
Authors:Zhou, X.E, Melcher, K, Soon, F.-F, Ng, L.-M, Xu, Y, Suino-Powell, K.M, Kovach, A, Li, J, Xu, H.E.
Deposit date:2009-10-20
Release date:2009-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Agate-latch-lock mechanism for hormone signalling by abscisic acid receptors
Nature, 462, 2009
3KEX
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BU of 3kex by Molmil
Crystal structure of the catalytically inactive kinase domain of the human epidermal growth factor receptor 3 (HER3)
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Receptor tyrosine-protein kinase erbB-3
Authors:Jura, N, Shan, Y, Cao, X, Shaw, D.E, Kuriyan, J.
Deposit date:2009-10-26
Release date:2009-12-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.797 Å)
Cite:Structural analysis of the catalytically inactive kinase domain of the human EGF receptor 3.
Proc.Natl.Acad.Sci.USA, 106, 2009
5JTE
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BU of 5jte by Molmil
Cryo-EM structure of an ErmBL-stalled ribosome in complex with A-, P-, and E-tRNA
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Arenz, S, Bock, L.V, Graf, M, Innis, C.A, Beckmann, R, Grubmueller, H, Vaiana, A.C, Wilson, D.N.
Deposit date:2016-05-09
Release date:2016-07-20
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:A combined cryo-EM and molecular dynamics approach reveals the mechanism of ErmBL-mediated translation arrest.
Nat Commun, 7, 2016
2QU6
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BU of 2qu6 by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a benzoxazole inhibitor
Descriptor: 4-({2-[(4-chloro-3-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}phenyl)amino]-1,3-benzoxazol-5-yl}oxy)-N-methylpyridine-2-carboxamide, SULFATE ION, Vascular endothelial growth factor receptor 2
Authors:Whittington, D.A, Kim, J.L, Long, A.M, Rose, P, Gu, Y, Zhao, H.
Deposit date:2007-08-03
Release date:2007-09-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design, Synthesis, and Evaluation of Orally Active Benzimidazoles and Benzoxazoles as Vascular Endothelial Growth Factor-2 Receptor Tyrosine Kinase Inhibitors.
J.Med.Chem., 50, 2007
6F0L
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BU of 6f0l by Molmil
S. cerevisiae MCM double hexamer bound to duplex DNA
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (62-MER), DNA replication licensing factor MCM2, ...
Authors:Abid Ali, F, Pye, V.E, Douglas, M.E, Locke, J, Nans, A, Diffley, J.F.X, Costa, A.
Deposit date:2017-11-20
Release date:2017-12-06
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (4.77 Å)
Cite:Cryo-EM structure of a licensed DNA replication origin.
Nat Commun, 8, 2017
3KGW
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BU of 3kgw by Molmil
Crystal structure of Putative aminotransferase (AAH25799.1) from MUS MUSCULUS at 1.65 A resolution
Descriptor: 1,2-ETHANEDIOL, Alanine-glyoxylate aminotransferase, CHLORIDE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-10-29
Release date:2009-12-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of Putative aminotransferase (AAH25799.1) from MUS MUSCULUS at 1.65 A resolution
To be published
3KDM
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BU of 3kdm by Molmil
Crystal Structure of Human Anti-steroid Fab 5F2 in Complex with Testosterone
Descriptor: Immunoglobulin heavy chain, Immunoglobulin light chain, TESTOSTERONE
Authors:Niemi, M.H, Rouvinen, J.
Deposit date:2009-10-23
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The testosterone binding mechanism of an antibody derived from a naive human scFv library
J.Mol.Recognit., 24, 2010
3KEG
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BU of 3keg by Molmil
X-ray Crystallographic Structure of a Y131F mutant of Pseudomonas Aeruginosa Azoreductase in complex with Methyl RED
Descriptor: 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase 1, ...
Authors:Wang, C.-J, Laurieri, N, Abuhammad, A, Lowe, E, Westwood, I, Ryan, A, Sim, E.
Deposit date:2009-10-26
Release date:2010-01-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Role of tyrosine 131 in the active site of paAzoR1, an azoreductase with specificity for the inflammatory bowel disease prodrug balsalazide
Acta Crystallogr.,Sect.F, 66, 2010
5KBY
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BU of 5kby by Molmil
Crystal structure of dipeptidyl peptidase IV in complex with SYR-472
Descriptor: 2-[[6-[(3~{R})-3-azanylpiperidin-1-yl]-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarboni trile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Skene, R.J, Jennings, A.J.
Deposit date:2016-06-03
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Trelagliptin (SYR-472, Zafatek), Novel Once-Weekly Treatment for Type 2 Diabetes, Inhibits Dipeptidyl Peptidase-4 (DPP-4) via a Non-Covalent Mechanism.
Plos One, 11, 2016
3KIC
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BU of 3kic by Molmil
Crystal structure of adeno-associated virus serotype 3B
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Capsid protein VP1
Authors:Lerch, T.F, Xie, Q, Chapman, M.S.
Deposit date:2009-11-01
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:The structure of adeno-associated virus serotype 3B (AAV-3B): insights into receptor binding and immune evasion.
Virology, 403, 2010
3KES
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BU of 3kes by Molmil
Crystal structure of the autoproteolytic domain from the nuclear pore complex component NUP145 from Saccharomyces cerevisiae in the Hexagonal, P61 space group
Descriptor: 1,2-ETHANEDIOL, Nucleoporin NUP145
Authors:Sampathkumar, P, Ozyurt, S.A, Do, J, Bain, K, Dickey, M, Gheyi, T, Sali, A, Kim, S.J, Phillips, J, Pieper, U, Fernandez-Martinez, J, Franke, J.D, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Rout, M, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-10-26
Release date:2009-12-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of the autoproteolytic domain from the Saccharomyces cerevisiae nuclear pore complex component, Nup145.
Proteins, 78, 2010
3KF3
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Structure of fructofuranosidase from Schwanniomyces occidentalis complexed with fructose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Invertase, beta-D-fructofuranose
Authors:Sanz-Aparicio, J, Polo, A.
Deposit date:2009-10-27
Release date:2010-02-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and kinetic analysis of Schwanniomyces occidentalis invertase reveals a new oligomerization pattern and the role of its supplementary domain in substrate binding
J.Biol.Chem., 285, 2010

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