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5VAR
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BU of 5var by Molmil
Crystal structure of KDM4A tandem TUDOR domain in complex with a tri-methyl lysine competitive inhibitor
分子名称: (1R,2S,3R,4S)-3-[(dimethylamino)methyl]-1-phenylbicyclo[2.2.1]heptan-2-ol, Lysine-specific demethylase 4A
著者Judge, R.A, Upadhyay, A.K.
登録日2017-03-27
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Targeting lysine specific demethylase 4A (KDM4A) tandem TUDOR domain - A fragment based approach.
Bioorg. Med. Chem. Lett., 28, 2018
5EFY
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BU of 5efy by Molmil
Apo-form of SCO3201
分子名称: Putative tetR-family transcriptional regulator
著者Waack, P, Hinrichs, W.
登録日2015-10-26
公開日2016-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures of free and ligand-bound forms of the TetR/AcrR-like regulator SCO3201 from Streptomyces coelicolor suggest a novel allosteric mechanism.
Febs J., 2022
1YAU
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BU of 1yau by Molmil
Structure of Archeabacterial 20S proteasome- PA26 complex
分子名称: GLYCEROL, Proteasome alpha subunit, Proteasome beta subunit, ...
著者Forster, A, Masters, E.I, Whitby, F.G, Robinson, H, Hill, C.P.
登録日2004-12-17
公開日2005-07-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The 1.9 A structure of a proteasome-11S activator complex and implications for proteasome-PAN/PA700 interactions.
Mol.Cell, 18, 2005
5UM2
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BU of 5um2 by Molmil
Functional and structural characterization of a Sulfate-binding protein (Sbp) from Xanthomonas citri
分子名称: ABC transporter sulfate binding protein, GLYCEROL, SULFATE ION
著者Pereira, C.T, Hyvonen, M, Balan, A.
登録日2017-01-26
公開日2017-03-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Sulfate-Binding Protein (Sbp) from Xanthomonas citri: Structure and Functional Insights.
Mol. Plant Microbe Interact., 30, 2017
2BBP
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BU of 2bbp by Molmil
NMR structures of the peptide linked to the genome (VPg) of poliovirus
分子名称: Genome linked protein VPg
著者Schein, C.H, Oezguen, N.
登録日2005-10-17
公開日2006-03-28
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR structure of the viral peptide linked to the genome (VPg) of poliovirus.
Peptides, 27, 2006
5EHC
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BU of 5ehc by Molmil
Co-crystal structure of eIF4E with nucleotide mimetic inhibitor.
分子名称: 3-[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(3-chlorophenyl)methyl]-6-oxidanylidene-1~{H}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione, Eukaryotic translation initiation factor 4 gamma 1, Eukaryotic translation initiation factor 4E
著者Nowicki, M.W, Walkinshaw, M.D, Fischer, P.M.
登録日2015-10-28
公開日2016-09-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design of nucleotide-mimetic and non-nucleotide inhibitors of the translation initiation factor eIF4E: Synthesis, structural and functional characterisation.
Eur.J.Med.Chem., 124, 2016
5EHH
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BU of 5ehh by Molmil
Structure of human DPP3 in complex with endomorphin-2.
分子名称: Dipeptidyl peptidase 3, Endomorphin-2, MAGNESIUM ION, ...
著者Kumar, P, Reithofer, V, Reisinger, M, Pavkov-Keller, T, Wallner, S, Macheroux, P, Gruber, K.
登録日2015-10-28
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition.
Sci Rep, 6, 2016
2BCG
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BU of 2bcg by Molmil
Structure of doubly prenylated Ypt1:GDI complex
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GERAN-8-YL GERAN, GTP-binding protein YPT1, ...
著者Pylypenko, O, Rak, A, Alexandrov, K.
登録日2005-10-19
公開日2006-01-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structure of doubly prenylated Ypt1:GDI complex and the mechanism of GDI-mediated Rab recycling
Embo J., 25, 2006
5EQI
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BU of 5eqi by Molmil
Human GLUT1 in complex with Cytochalasin B
分子名称: Cytochalasin B, Solute carrier family 2, facilitated glucose transporter member 1
著者Kapoor, K, Finer-Moore, J, Pedersen, B.P, Caboni, L, Waight, A.B, Hillig, R, Bringmann, P, Heisler, I, Muller, T, Siebeneicher, H, Stroud, R.M.
登録日2015-11-12
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.002 Å)
主引用文献Mechanism of inhibition of human glucose transporter GLUT1 is conserved between cytochalasin B and phenylalanine amides.
Proc.Natl.Acad.Sci.USA, 113, 2016
5EJF
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BU of 5ejf by Molmil
Crystal structure of NAD kinase P101A mutant from Listeria monocytogenes
分子名称: NAD kinase 1
著者Poncet-Montange, G, Assairi, L, Gelin, M, Pochet, S, Labesse, G.
登録日2015-11-01
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Crystal structure of NAD kinase 1 from Listeria monocytogenes: P101A mutant
to be published
4AI6
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BU of 4ai6 by Molmil
Dynein Motor Domain - ADP complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, GLUTATHIONE S-TRANSFERASE CLASS-MU 26 KDA ISOZYME, ...
著者Schmidt, H, Gleave, E.S, Carter, A.P.
登録日2012-02-08
公開日2012-03-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Insights Into Dynein Motor Domain Function from a 3.3 Angstrom Crystal Structure
Nat.Struct.Mol.Biol., 19, 2012
5UO1
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BU of 5uo1 by Molmil
Structure of human neuronal nitric oxide synthase heme domain in complex with 3-[(2-aminoquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile
分子名称: 3-[(2-aminoquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2017-01-31
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
4A2V
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BU of 4a2v by Molmil
Structure of duck RIG-I C-terminal domain (CTD)
分子名称: GLYCEROL, RETINOIC ACID INDUCIBLE PROTEIN I, ZINC ION
著者Kowalinski, E, Lunardi, T, McCarthy, A.A, Cusack, S.
登録日2011-09-29
公開日2011-10-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Structural Basis for the Activation of Innate Immune Pattern Recognition Receptor Rig-I by Viral RNA.
Cell(Cambridge,Mass.), 147, 2011
5ER8
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BU of 5er8 by Molmil
Crystal structure of cyclization domain of Phomopsis amygdali fusicoccadiene synthase complexed with manganese ions and neridronate
分子名称: (6-azanyl-1-oxidanyl-1-phosphono-hexyl)phosphonic acid, CHLORIDE ION, Fusicoccadiene synthase, ...
著者Chen, M, Christianson, D.W.
登録日2015-11-13
公開日2016-01-20
最終更新日2016-04-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and Function of Fusicoccadiene Synthase, a Hexameric Bifunctional Diterpene Synthase.
Acs Chem.Biol., 11, 2016
4ALZ
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BU of 4alz by Molmil
The Yersinia T3SS basal body component YscD reveals a different structural periplasmatic domain organization to known homologue PrgH
分子名称: GLYCEROL, PHOSPHATE ION, YOP PROTEINS TRANSLOCATION PROTEIN D
著者Schmelz, S, Wisand, U, Stenta, M, Muenich, S, Widow, U, Cornelis, G.R, Heinz, D.W.
登録日2012-03-06
公開日2013-04-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献In Situ Structural Analysis of the Yersinia Enterocolitica Injectisome.
Elife, 2, 2013
5ERK
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BU of 5erk by Molmil
X-ray structure of horse spleen apoferritin (control)
分子名称: CADMIUM ION, CHLORIDE ION, Ferritin light chain, ...
著者Pontillo, N, Merlino, A.
登録日2015-11-14
公開日2016-03-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cisplatin encapsulation within a ferritin nanocage: a high-resolution crystallographic study.
Chem.Commun.(Camb.), 52, 2016
5EQO
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BU of 5eqo by Molmil
Human Angiogenin in complex with sulphate anions at an acidic solution
分子名称: Angiogenin, SULFATE ION
著者Chatzileontiadou, D.S.M, Leonidas, D.D.
登録日2015-11-13
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The ammonium sulfate inhibition of human angiogenin.
Febs Lett., 590, 2016
5BX7
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BU of 5bx7 by Molmil
PKA in complex with a benzothiophene fragment compound.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-benzothiophen-3-ylmethanol, ...
著者Narayanan, D, Alam, K.A, Engh, R.A.
登録日2015-06-08
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献PKA based studies of ligand interactions with a methionine gatekeeper.
To Be Published
4AKI
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BU of 4aki by Molmil
Dynein Motor Domain - LuAc derivative
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLUTATHIONE S-TRANSFERASE CLASS-MU 26 KDA ISOZYME, DYNEIN HEAVY CHAIN CYTOPLASMIC, ...
著者Schmidt, H, Gleave, E.S, Carter, A.P.
登録日2012-02-22
公開日2012-03-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Insights Into Dynein Motor Domain Function from a 3.3 Angstrom Crystal Structure
Nat.Struct.Mol.Biol., 19, 2012
5UML
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BU of 5uml by Molmil
CRYSTAL STRUCTURE OF HUMAN MDMX IN COMPLEX WITH 12-MER PEPTIDE INHIBITOR M3
分子名称: PEPTIDE INHIBITOR M3, Protein Mdm4
著者Pazgier, M, Gohain, N, Tolbert, W.D.
登録日2017-01-27
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Design of ultrahigh-affinity and dual-specificity peptide antagonists of MDM2 and MDMX for p53 activation
To Be Published
5ERJ
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BU of 5erj by Molmil
X-ray structure of cisplatin-encapsulated horse spleen apoferritin
分子名称: CADMIUM ION, CHLORIDE ION, Cisplatin, ...
著者Pontillo, N, Merlino, A.
登録日2015-11-14
公開日2016-03-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Cisplatin encapsulation within a ferritin nanocage: a high-resolution crystallographic study.
Chem.Commun.(Camb.), 52, 2016
5BYU
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BU of 5byu by Molmil
Crystal structure of unnamed thioesterase Ipg2867 from Legionella pneumophila
分子名称: COENZYME A, Thioesterase
著者Swarbrick, C.M.D, Forwood, J.K.
登録日2015-06-11
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of unnamed thioesterase Ipg2867 from Legionella pneumophila
To Be Published
4A8U
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BU of 4a8u by Molmil
Crystal Structure of native Birch Pollen Allergen Bet v 1 isoform j
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Kofler, S, Brandstetter, H.
登録日2011-11-21
公開日2012-05-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1.
J.Mol.Biol., 422, 2012
5UOA
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BU of 5uoa by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 3-[(2-Amino-4-methylquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile, CHLORIDE ION, ...
著者Chreifi, G, Li, H, Poulos, T.L.
登録日2017-01-31
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
5BX3
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BU of 5bx3 by Molmil
Crystal structure of Thermoanaerobacterium xylanolyticum GH116 beta-glucosidase with deoxynojirimycin
分子名称: 1,2-ETHANEDIOL, 1-DEOXYNOJIRIMYCIN, CALCIUM ION, ...
著者Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tankrathok, A, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R.
登録日2015-06-08
公開日2016-05-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2)
Acs Chem.Biol., 11, 2016

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