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6PAU
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BU of 6pau by Molmil
Structure of Human NMT2 with myristoyl-lysine peptide and CoA products
Descriptor: 4'-diphospho pantetheine, Arf6 peptide, GLYCEROL, ...
Authors:Price, I.R, Lin, H.
Deposit date:2019-06-11
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:NMT1 and NMT2 are lysine myristoyltransferases regulating the ARF6 GTPase cycle.
Nat Commun, 11, 2020
8ONJ
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BU of 8onj by Molmil
Crystal structure of D-amino acid aminotransferase from Aminobacterium colombiense point mutant R88L
Descriptor: Aminotransferase class IV, DI(HYDROXYETHYL)ETHER, PYRIDOXAL-5'-PHOSPHATE
Authors:Matyuta, I.O, Boyko, K.M, Minyaev, M.E, Shilova, S.A, Bezsudnova, E.Y, Popov, V.O.
Deposit date:2023-04-03
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: Carbohydrate binding module E1
Authors:Liberato, M.V, Campos, B.M, Zeri, A.C.M, Squina, F.M.
Deposit date:2016-06-24
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.746 Å)
Cite: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
Descriptor: 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')
Authors:Barrett, T.E.
Deposit date:2016-01-26
Release date:2017-02-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:KSHV SOX mediated host shutoff: the molecular mechanism underlying mRNA transcript processing.
Nucleic Acids Res., 45, 2017
5HQ0
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BU of 5hq0 by Molmil
Ternary complex of human proteins CDK1, Cyclin B and CKS2, bound to an inhibitor
Descriptor: Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ...
Authors:Noble, M.E, Martin, M.P, Korolchuk, S, Brown, N.R, Moukhametzianov, R, Stanley, W.A.
Deposit date:2016-01-21
Release date:2016-03-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:CDK1 structures reveal conserved and unique features of the essential cell cycle CDK.
Nat Commun, 6, 2015
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
Descriptor: 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
Authors:O'Reilly, M.
Deposit date:2018-04-10
Release date:2018-05-30
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
6VC7
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BU of 6vc7 by Molmil
Structure of the F349A mutant of the periplasmic domain of YejM from Salmonella typhimurium
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ETHANOLAMINE, ...
Authors:Gabale, U, Ressl, S.
Deposit date:2019-12-20
Release date:2020-08-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The essential inner membrane protein YejM is a metalloenzyme.
Sci Rep, 10, 2020
8ORA
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BU of 8ora by Molmil
Human holo aromatic L-amino acid decarboxylase (AADC) external aldimine with L-Dopa methylester
Descriptor: Dopa decarboxylase (Aromatic L-amino acid decarboxylase), PYRIDOXAL-5'-PHOSPHATE, TETRAETHYLENE GLYCOL, ...
Authors:Bisello, G, Perduca, M, Bertoldi, M.
Deposit date:2023-04-13
Release date:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Human aromatic amino acid decarboxylase is an asymmetric and flexible enzyme: Implication in aromatic amino acid decarboxylase deficiency.
Protein Sci., 32, 2023
5KM9
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BU of 5km9 by Molmil
Human Histidine Triad Nucleotide Binding Protein 2 (hHint2) adenosine complex
Descriptor: ADENOSINE, CHLORIDE ION, GLYCEROL, ...
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-06-26
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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)
Descriptor: 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
Authors:Murray, J.M.
Deposit date:2017-05-29
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.707 Å)
Cite: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)
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase
Authors:Arbing, M.A, Shin, A, Cascio, D, Satagopan, S, North, J.A, Tabita, F.R.
Deposit date:2016-01-21
Release date:2017-01-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.53 Å)
Cite: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)
Descriptor: GLYCEROL, Histone-arginine methyltransferase CARM1, SINEFUNGIN, ...
Authors:Boriack-Sjodin, P.A.
Deposit date:2015-09-23
Release date:2015-11-25
Last modified:2016-03-30
Method:X-RAY DIFFRACTION (2.07 Å)
Cite: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)
Descriptor: CADMIUM ION, Endo-1,4-beta-xylanase Y, GLYCEROL
Authors:von Stetten, D, Mueller-Dieckmann, C, Carpentier, P, Flot, D.
Deposit date:2020-03-04
Release date:2020-05-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, 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:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite: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)
Descriptor: 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, ...
Authors:Qiu, Y, Zhou, Y.
Deposit date:2019-06-19
Release date:2019-12-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.993 Å)
Cite: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
Descriptor: 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')
Authors:Sheu-Gruttadauria, J, MacRae, I.J.
Deposit date:2018-11-19
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.899 Å)
Cite: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
Descriptor: 3-oxidanylbenzenecarbonitrile, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ...
Authors:Lund, B.A, Cederfelt, D, Dobritzsch, D.
Deposit date:2023-04-28
Release date:2023-08-30
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 1-O-phosphono-alpha-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
Authors:Gustafsson, R, Eckhard, U, Selmer, M.
Deposit date:2020-03-06
Release date:2020-12-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: Beta-lactamase, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Zavala, A, Retailleau, P, Naas, T, Iorga, B.
Deposit date:2018-04-11
Release date:2019-02-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: Ribosome biogenesis protein WDR12, UNKNOWN ATOM OR ION
Authors:Halabelian, L, Zeng, H, Tempel, W, Li, Y, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2018-11-14
Release date:2018-12-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: 1H-imidazol-5-ylmethanol, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Lolli, G, Caflisch, A.
Deposit date:2015-09-25
Release date:2016-03-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Kvansakul, M, Hulett, M.D, Lay, F.T.
Deposit date:2016-06-21
Release date:2016-10-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: SULFATE ION, ZINC ION, ZT_dimer domain-containing protein
Authors:Maher, M.J.
Deposit date:2019-12-23
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and functional characterizations of the C-terminal domains of CzcD proteins.
J.Inorg.Biochem., 208, 2020
5KKJ
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BU of 5kkj by Molmil
2.0-Angstrom In situ Mylar structure of hen egg-white lysozyme (HEWL) at 293 K
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ACETIC ACID, CHLORIDE ION, ...
Authors:Broecker, J, Ernst, O.P.
Deposit date:2016-06-21
Release date:2017-02-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.001 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
6PG4
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BU of 6pg4 by Molmil
WDR5delta32 bound to (2-methyl-1H-imidazol-4-yl)methanol
Descriptor: (2-methyl-1H-imidazol-4-yl)methanol, SULFATE ION, WD repeat-containing protein 5
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019

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数据于2024-11-06公开中

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