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8ONJ
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BU of 8onj by Molmil
Crystal structure of D-amino acid aminotransferase from Aminobacterium colombiense point mutant R88L
分子名称: Aminotransferase class IV, DI(HYDROXYETHYL)ETHER, PYRIDOXAL-5'-PHOSPHATE
著者Matyuta, I.O, Boyko, K.M, Minyaev, M.E, Shilova, S.A, Bezsudnova, E.Y, Popov, V.O.
登録日2023-04-03
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献In search for structural targets for engineering d-amino acid transaminase: modulation of pH optimum and substrate specificity.
Biochem.J., 480, 2023
5KLC
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BU of 5klc by Molmil
Structure of CBM_E1, a novel carbohydrate-binding module found by sugar cane soil metagenome
分子名称: Carbohydrate binding module E1
著者Liberato, M.V, Campos, B.M, Zeri, A.C.M, Squina, F.M.
登録日2016-06-24
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.746 Å)
主引用文献A Novel Carbohydrate-binding Module from Sugar Cane Soil Metagenome Featuring Unique Structural and Carbohydrate Affinity Properties.
J.Biol.Chem., 291, 2016
5HSW
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BU of 5hsw by Molmil
KSHV SOX RNA complex
分子名称: ACETATE ION, ORF 37, RNA (5'-R(P*UP*CP*UP*UP*GP*AP*AP*GP*CP*AP*GP*CP*UP*UP*CP*CP*AP*G)-3')
著者Barrett, T.E.
登録日2016-01-26
公開日2017-02-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献KSHV SOX mediated host shutoff: the molecular mechanism underlying mRNA transcript processing.
Nucleic Acids Res., 45, 2017
6Y5P
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BU of 6y5p by Molmil
RING-DTC domain of Deltex1 bound to NAD
分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase DTX1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Gabrielsen, M, Buetow, L, Huang, D.T.
登録日2020-02-25
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural insights into ADP-ribosylation of ubiquitin by Deltex family E3 ubiquitin ligases.
Sci Adv, 6, 2020
6G9A
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BU of 6g9a by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-morpholin-4-ylethyl)-3~{H}-isoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M.
登録日2018-04-10
公開日2018-05-30
最終更新日2018-06-27
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
5HQ0
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BU of 5hq0 by Molmil
Ternary complex of human proteins CDK1, Cyclin B and CKS2, bound to an inhibitor
分子名称: Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ...
著者Noble, M.E, Martin, M.P, Korolchuk, S, Brown, N.R, Moukhametzianov, R, Stanley, W.A.
登録日2016-01-21
公開日2016-03-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献CDK1 structures reveal conserved and unique features of the essential cell cycle CDK.
Nat Commun, 6, 2015
8ORA
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BU of 8ora by Molmil
Human holo aromatic L-amino acid decarboxylase (AADC) external aldimine with L-Dopa methylester
分子名称: Dopa decarboxylase (Aromatic L-amino acid decarboxylase), PYRIDOXAL-5'-PHOSPHATE, TETRAETHYLENE GLYCOL, ...
著者Bisello, G, Perduca, M, Bertoldi, M.
登録日2023-04-13
公開日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Human aromatic amino acid decarboxylase is an asymmetric and flexible enzyme: Implication in aromatic amino acid decarboxylase deficiency.
Protein Sci., 32, 2023
6VC7
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BU of 6vc7 by Molmil
Structure of the F349A mutant of the periplasmic domain of YejM from Salmonella typhimurium
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ETHANOLAMINE, ...
著者Gabale, U, Ressl, S.
登録日2019-12-20
公開日2020-08-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The essential inner membrane protein YejM is a metalloenzyme.
Sci Rep, 10, 2020
5KM9
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BU of 5km9 by Molmil
Human Histidine Triad Nucleotide Binding Protein 2 (hHint2) adenosine complex
分子名称: ADENOSINE, CHLORIDE ION, GLYCEROL, ...
著者Maize, K.M, Finzel, B.C.
登録日2016-06-26
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5VZS
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BU of 5vzs by Molmil
BRD4-BD1 in complex with Cpd19 (3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide)
分子名称: 1,2-ETHANEDIOL, 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide, Bromodomain-containing protein 4
著者Murray, J.M.
登録日2017-05-29
公開日2018-05-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.707 Å)
主引用文献GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of CBP/P300
To be published
5HQL
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BU of 5hql by Molmil
Structure function studies of R. palustris RubisCO (A47V-M331A mutant; CABP-bound; no expression tag)
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase
著者Arbing, M.A, Shin, A, Cascio, D, Satagopan, S, North, J.A, Tabita, F.R.
登録日2016-01-21
公開日2017-01-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structure function studies of R. palustris RubisCO
To Be Published
5DXA
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BU of 5dxa by Molmil
Crystal structure of CARM1, sinefungin, and methylated PABP1 peptide (R460)
分子名称: GLYCEROL, Histone-arginine methyltransferase CARM1, SINEFUNGIN, ...
著者Boriack-Sjodin, P.A.
登録日2015-09-23
公開日2015-11-25
最終更新日2016-03-30
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural Insights into Ternary Complex Formation of Human CARM1 with Various Substrates.
Acs Chem.Biol., 11, 2016
6Y8G
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BU of 6y8g by Molmil
selenomethionine derivative of ferulic acid esterase (FAE)
分子名称: CADMIUM ION, Endo-1,4-beta-xylanase Y, GLYCEROL
著者von Stetten, D, Mueller-Dieckmann, C, Carpentier, P, Flot, D.
登録日2020-03-04
公開日2020-05-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献ID30A-3 (MASSIF-3) - a beamline for macromolecular crystallography at the ESRF with a small intense beam.
J.Synchrotron Radiat., 27, 2020
5KJY
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BU of 5kjy by Molmil
Co-crystal structure of PKA RI alpha CNB-B mutant (G316R/A336T) with cAMP
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, cAMP-dependent protein kinase type I-alpha regulatory subunit
著者Lorenz, R, Moon, E, Kim, J.J, Huang, G.Y, Kim, C, Herberg, F.W.
登録日2016-06-20
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mutations of PKA cyclic nucleotide-binding domains reveal novel aspects of cyclic nucleotide selectivity.
Biochem. J., 474, 2017
6PDX
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BU of 6pdx by Molmil
Crystal structure of C585 Fab in complex with influenza virus hemagglutinin from A/Switzerland/9715293/2013 (H3N2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C585 Fab heavy chain, ...
著者Qiu, Y, Zhou, Y.
登録日2019-06-19
公開日2019-12-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.993 Å)
主引用文献Mapping of a Novel H3-Specific Broadly Neutralizing Monoclonal Antibody Targeting the Hemagglutinin Globular Head Isolated from an Elite Influenza Virus-Immunized Donor Exhibiting Serological Breadth.
J.Virol., 94, 2020
6N4O
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BU of 6n4o by Molmil
Human Argonaute2-miR-122 bound to a seed and supplementary paired target
分子名称: Protein argonaute-2, RNA (5'-R(*CP*CP*AP*UP*UP*GP*UP*CP*AP*CP*AP*CP*UP*CP*CP*AP*AP*A)-3'), RNA (5'-R(P*UP*GP*GP*AP*GP*UP*GP*UP*GP*AP*CP*AP*AP*UP*GP*GP*UP*GP*UP*UP*U)-3')
著者Sheu-Gruttadauria, J, MacRae, I.J.
登録日2018-11-19
公開日2019-05-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.899 Å)
主引用文献Beyond the seed: structural basis for supplementary microRNA targeting by human Argonaute2.
Embo J., 38, 2019
8OWO
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BU of 8owo by Molmil
SMYD3 in complex with fragment FL01507
分子名称: 3-oxidanylbenzenecarbonitrile, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ...
著者Lund, B.A, Cederfelt, D, Dobritzsch, D.
登録日2023-04-28
公開日2023-08-30
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening.
Rsc Med Chem, 15, 2024
6Y8Y
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BU of 6y8y by Molmil
Structure of Baltic Herring (Clupea Harengus) Phosphoglucomutase 5 (PGM5) with bound Glucose-1-Phosphate
分子名称: 1-O-phosphono-alpha-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
著者Gustafsson, R, Eckhard, U, Selmer, M.
登録日2020-03-06
公開日2020-12-16
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure and Characterization of Phosphoglucomutase 5 from Atlantic and Baltic Herring-An Inactive Enzyme with Intact Substrate Binding.
Biomolecules, 10, 2020
6G9T
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BU of 6g9t by Molmil
CRYSTAL STRUCTURE OF CMY-136 class C BETA-LACTAMASE
分子名称: Beta-lactamase, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Zavala, A, Retailleau, P, Naas, T, Iorga, B.
登録日2018-04-11
公開日2019-02-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Genetic, Biochemical, and Structural Characterization of CMY-136 beta-Lactamase, a Peculiar CMY-2 Variant.
Acs Infect Dis., 5, 2019
6N31
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BU of 6n31 by Molmil
WD repeats of human WDR12
分子名称: Ribosome biogenesis protein WDR12, UNKNOWN ATOM OR ION
著者Halabelian, L, Zeng, H, Tempel, W, Li, Y, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2018-11-14
公開日2018-12-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献WD repeats of human WDR12
To Be Published
5DYU
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BU of 5dyu by Molmil
Crystal Structure of BAZ2B bromodomain in complex with fragment F39
分子名称: 1H-imidazol-5-ylmethanol, Bromodomain adjacent to zinc finger domain protein 2B
著者Lolli, G, Caflisch, A.
登録日2015-09-25
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography.
Acs Chem.Biol., 11, 2016
5KK4
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BU of 5kk4 by Molmil
Crystal Structure of the Plant Defensin NsD7 bound to Phosphatidic Acid
分子名称: (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Kvansakul, M, Hulett, M.D, Lay, F.T.
登録日2016-06-21
公開日2016-10-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Binding of phosphatidic acid by NsD7 mediates the formation of helical defensin-lipid oligomeric assemblies and membrane permeabilization.
Proc.Natl.Acad.Sci.USA, 113, 2016
6VDA
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BU of 6vda by Molmil
Metal-bound C-terminal domain of CzcD transporter from Thermotoga maritima
分子名称: SULFATE ION, ZINC ION, ZT_dimer domain-containing protein
著者Maher, M.J.
登録日2019-12-23
公開日2020-06-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and functional characterizations of the C-terminal domains of CzcD proteins.
J.Inorg.Biochem., 208, 2020
5KKJ
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2.0-Angstrom In situ Mylar structure of hen egg-white lysozyme (HEWL) at 293 K
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ACETIC ACID, CHLORIDE ION, ...
著者Broecker, J, Ernst, O.P.
登録日2016-06-21
公開日2017-02-15
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献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
6PG4
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BU of 6pg4 by Molmil
WDR5delta32 bound to (2-methyl-1H-imidazol-4-yl)methanol
分子名称: (2-methyl-1H-imidazol-4-yl)methanol, SULFATE ION, WD repeat-containing protein 5
著者Dennis, M.L, Peat, T.S.
登録日2019-06-24
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019

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