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7K3I
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Cellular retinol-binding protein 2 (CRBP2) in complex with 2-lauroylglycerol
Descriptor: 1,3-dihydroxypropan-2-yl dodecanoate, Retinol-binding protein 2
Authors:Adams, C, Silvaroli, J.A, Banarjee, S, Golczak, M.
Deposit date:2020-09-11
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Molecular basis for the interaction of cellular retinol binding protein 2 (CRBP2) with nonretinoid ligands.
J.Lipid Res., 62, 2021
7JX2
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BU of 7jx2 by Molmil
Cellular retinol-binding protein 2 (CRBP2) in complex with 2-palmitoylglycerol
Descriptor: 1,3-dihydroxypropan-2-yl hexadecanoate, Retinol-binding protein 2
Authors:Silvaroli, J.A, Banarjee, S, Golczak, M.
Deposit date:2020-08-26
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular basis for the interaction of cellular retinol binding protein 2 (CRBP2) with nonretinoid ligands.
J.Lipid Res., 62, 2021
7JVG
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BU of 7jvg by Molmil
Cellular retinol-binding protein 2 (CRBP2) in complex with 1-arachidonoylglycerol
Descriptor: (2S)-2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, Retinol-binding protein 2
Authors:Silvaroli, J.A, Golczak, M.
Deposit date:2020-08-21
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular basis for the interaction of cellular retinol binding protein 2 (CRBP2) with nonretinoid ligands.
J.Lipid Res., 62, 2021
7JVY
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BU of 7jvy by Molmil
Cellular retinol-binding protein 2 (CRBP2) in complex with 2-arachidonylglyceryl ether
Descriptor: 2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl]oxy}propane-1,3-diol, Retinol-binding protein 2
Authors:Silvaroli, J.A, Banarjee, S, Golczak, M.
Deposit date:2020-08-24
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Molecular basis for the interaction of cellular retinol binding protein 2 (CRBP2) with nonretinoid ligands.
J.Lipid Res., 62, 2021
7EV1
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BU of 7ev1 by Molmil
Crystal structure of LI-Cadherin EC1-2
Descriptor: ACETATE ION, CALCIUM ION, Cadherin-17, ...
Authors:Caaveiro, J.M.M, Yui, A, Tsumoto, K.
Deposit date:2021-05-19
Release date:2021-06-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Mechanism of dimerization and structural features of human LI-cadherin.
J.Biol.Chem., 297, 2021
7F0W
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BU of 7f0w by Molmil
Crystal structure of KRAS-G12D bound to GDP with switch 1 open conformation
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION
Authors:Zhang, F.
Deposit date:2021-06-07
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Crystal structure of KRAS-G12D bound to GDP with switch 1 open conformation
To Be Published
5KL7
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BU of 5kl7 by Molmil
Wilms Tumor Protein (WT1) ZnF2-4Q369R in complex with carboxylated DNA
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(1CC)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*CP*GP*C)-3'), ...
Authors:Hashimoto, H, Cheng, X.
Deposit date:2016-06-23
Release date:2016-09-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.579 Å)
Cite:Denys-Drash syndrome associated WT1 glutamine 369 mutants have altered sequence-preferences and altered responses to epigenetic modifications.
Nucleic Acids Res., 44, 2016
7EYX
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Crystal structure of Mg-free KRAS-G12D bound to GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas
Authors:Fei, Z.
Deposit date:2021-06-01
Release date:2021-06-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal structure of Mg-free KRAS-G12D bound to GDP
To Be Published
7F49
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BU of 7f49 by Molmil
von Willebrand factor (VWF) A1 domain with BT-100 aptamer RNA
Descriptor: BT-100, GLYCEROL, von Willebrand factor
Authors:Zhu, S.
Deposit date:2021-06-18
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The development and characterization of a long acting anti-thrombotic von Willebrand factor (VWF) aptamer
J Thromb Haemost., 18, 2020
5L18
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The crystal structure of neuraminidase in complex with sialic acid from A/Shanghai/2/2013 (H7N9) influenza virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, N-acetyl-alpha-neuraminic acid, ...
Authors:Yang, H, Stevens, J.
Deposit date:2016-07-28
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Drug Susceptibility Evaluation of an Influenza A(H7N9) Virus by Analyzing Recombinant Neuraminidase Proteins.
J. Infect. Dis., 216, 2017
7EOW
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BU of 7eow by Molmil
High-resolution structure of vWF A1 domain in complex with caplacizumab, the first nanobody-based medicine
Descriptor: caplacizumab, von Willebrand factor
Authors:Lee, H.T, Heo, Y.-S.
Deposit date:2021-04-23
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High-resolution structure of the vWF A1 domain in complex with caplacizumab, the first nanobody-based medicine for treating acquired TTP.
Biochem.Biophys.Res.Commun., 567, 2021
5L1Q
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BU of 5l1q by Molmil
X-ray Structure of Cytochrome P450 PntM with Dihydropentalenolactone F
Descriptor: Dihydropentalenolactone F, PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase
Authors:Duan, L, Jogl, G, Cane, D.E.
Deposit date:2016-07-29
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016
5L1O
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BU of 5l1o by Molmil
X-ray Structure of Cytochrome P450 PntM with Pentalenolactone F
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F
Authors:Duan, L, Jogl, G, Cane, D.E.
Deposit date:2016-07-29
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016
8HGZ
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BU of 8hgz by Molmil
Crystal structure of insulin
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:DeMirci, H, Ayan, E.
Deposit date:2022-11-16
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Comparative Study of High-Resolution LysB29(N epsilon-myristoyl) des(B30) Insulin Structures Display Novel Dynamic Causal Interrelations in Monomeric-Dimeric Motions
Crystals, 13, 2023
7F09
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BU of 7f09 by Molmil
Crystal structure of the HLH-Lz domain of human TFE3
Descriptor: 1,2-ETHANEDIOL, Transcription factor E3, ZINC ION
Authors:Yang, G, Li, P, Liu, Z, Wu, S, Zhuang, C, Qiao, H, Fang, P, Wang, J.
Deposit date:2021-06-03
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for the dimerization mechanism of human transcription factor E3.
Biochem.Biophys.Res.Commun., 569, 2021
7F3H
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BU of 7f3h by Molmil
Crystal structure of cytochrome P450DA heme domain
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, SERINE, ...
Authors:Wan, N.W.
Deposit date:2021-06-16
Release date:2021-07-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Directed evolution of cytochrome P450DA hydroxylase activity for stereoselective biohydroxylation
Catalysis Science And Technology, 12, 2022
7F3G
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BU of 7f3g by Molmil
Crystal structure of DCLK1 kinase domain in complex with ruxolitinib
Descriptor: (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Isoform 4 of Serine/threonine-protein kinase DCLK1
Authors:Lim, H.J, Jang, D.M, Kim, H.S.
Deposit date:2021-06-16
Release date:2021-08-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis of Inhibition of DCLK1 by Ruxolitinib.
Int J Mol Sci, 22, 2021
5KJZ
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BU of 5kjz by Molmil
Co-crystal structure of PKA RI alpha CNB-B mutant (G316R/A336T) with cGMP
Descriptor: CYCLIC GUANOSINE MONOPHOSPHATE, GLYCEROL, cAMP-dependent protein kinase type I-alpha regulatory subunit
Authors:Lorenz, R, Moon, E, Kim, J.J, Huang, G.Y, Kim, C, Herberg, F.W.
Deposit date:2016-06-20
Release date:2017-06-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.347 Å)
Cite:Mutations of PKA cyclic nucleotide-binding domains reveal novel aspects of cyclic nucleotide selectivity.
Biochem. J., 474, 2017
5KKE
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BU of 5kke by Molmil
Crystal Structure of a Domain-swapped Dimer of Yeast Iso-1-cytochrome c with CYMAL5
Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, CHLORIDE ION, Cytochrome c iso-1, ...
Authors:Bowler, B.E, Whitby, F.G.
Deposit date:2016-06-21
Release date:2017-03-22
Last modified:2021-03-10
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Cytochrome c Can Form a Well-Defined Binding Pocket for Hydrocarbons.
J. Am. Chem. Soc., 138, 2016
5KKK
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BU of 5kkk by Molmil
1.7-Angstrom In situ Mylar structure of sperm whale myoglobin (SWMb-CO) at 100 K
Descriptor: CARBON MONOXIDE, CHLORIDE ION, Myoglobin, ...
Authors:Broecker, J, Ernst, O.P.
Deposit date:2016-06-21
Release date:2017-02-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Versatile System for High-Throughput In Situ X-ray Screening and Data Collection of Soluble and Membrane-Protein Crystals.
Cryst Growth Des, 16, 2016
8HOV
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BU of 8hov by Molmil
Crystal structure of Hms1p from Saccharomyces cerevisiae
Descriptor: DNA (5'-D(*AP*TP*GP*CP*GP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*AP*CP*GP*CP*AP*T)-3'), Transcription factor HMS1
Authors:Khan, M.H, Wang, C.C, Xue, L.
Deposit date:2022-12-11
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Crystal structure of Hms1p from Saccharomyces cerevisiae
To Be Published
5KOT
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BU of 5kot by Molmil
Discovery of TAK-272: A Novel, Potent and Orally Active Renin In-hibitor
Descriptor: 1-(4-methoxybutyl)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]benzimidazole-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.-C, Lane, W.
Deposit date:2016-07-01
Release date:2017-07-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of TAK-272: A Novel, Potent and Orally Active Renin Inhibitor
To be published
7EYI
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BU of 7eyi by Molmil
Crystal structure of ZBTB7A in complex with gamma-globin -200 sequence element with C-194A mutation
Descriptor: BORIC ACID, DNA (5'-D(*AP*TP*AP*GP*GP*GP*CP*CP*CP*CP*TP*TP*CP*CP*CP*AP*AP*C)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*GP*GP*AP*AP*GP*GP*GP*GP*CP*CP*CP*TP*A)-3'), ...
Authors:Yang, Y, Shi, Y.Y.
Deposit date:2021-05-31
Release date:2021-09-01
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Structural basis for human ZBTB7A action at the fetal globin promoter.
Cell Rep, 36, 2021
5KQX
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Protease E35D-SQV
Descriptor: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease E35D-SQV
Authors:Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E.
Deposit date:2016-07-06
Release date:2016-09-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
5KT1
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The crystal structure of 4-methylthiobenzoate-bound CYP199A4
Descriptor: 4-methylsulfanylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Coleman, T, Bruning, J.B, Bell, S.G.
Deposit date:2016-07-11
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.015 Å)
Cite:The crystal structure of 4-methylthiobenzoate-bound CYP199A4
To Be Published

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