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6DAB
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BU of 6dab by Molmil
Human CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Sevrioukova, I.F.
登録日2018-05-01
公開日2019-04-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
Biochemistry, 58, 2019
6DAL
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BU of 6dal by Molmil
Human CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, GLYCEROL, Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[2-(pyridin-3-yl)ethyl]-D-phenylalaninamide, ...
著者Sevrioukova, I.F.
登録日2018-05-01
公開日2019-04-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
Biochemistry, 58, 2019
6Z8M
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BU of 6z8m by Molmil
Structure of [NiFeSe] hydrogenase G491S variant from Desulfovibrio vulgaris Hildenborough pressurized with Oxygen gas - structure G491S-O2
分子名称: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE (II) ION, ...
著者Zacarias, S, Temporao, A, Carpentier, P, van der Linden, P, Pereira, I.A.C, Matias, P.M.
登録日2020-06-02
公開日2020-09-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen.
J.Biol.Inorg.Chem., 25, 2020
6YV9
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BU of 6yv9 by Molmil
Mannosyltransferase PcManGT from Pyrobaculum calidifontis in complex with GDP-Man and Mn2+
分子名称: GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, Glycosyl transferase, family 2, ...
著者Divne, C, Gandini, R.
登録日2020-04-28
公開日2020-07-22
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A Transmembrane Crenarchaeal Mannosyltransferase Is Involved in N-Glycan Biosynthesis and Displays an Unexpected Minimal Cellulose-Synthase-like Fold.
J.Mol.Biol., 432, 2020
3GKO
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BU of 3gko by Molmil
Crystal structure of urate oxydase using surfactant Poloxamer 188 as a New Crystallizing Agent
分子名称: 8-AZAXANTHINE, POTASSIUM ION, Uricase
著者Delfosse, V, Giffard, M, Sciara, G, Bonnete, F, Mayer, C.
登録日2009-03-11
公開日2010-02-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Surfactant Poloxamer 188 as a New Crystallizing Agent for Urate Oxidase
Cryst.Growth Des., 9, 2009
6ZB0
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BU of 6zb0 by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1-benzyl-N-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bromodomain-containing protein 2, ...
著者Chung, C.
登録日2020-06-06
公開日2020-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.613 Å)
主引用文献The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor.
J.Med.Chem., 63, 2020
6Z12
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BU of 6z12 by Molmil
Salmonella AcrB solubilised in the SMA copolymer
分子名称: Efflux pump membrane transporter
著者Muench, s.p, Johnson, R.M.
登録日2020-05-11
公開日2020-07-22
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Cryo-EM Structure and Molecular Dynamics Analysis of the Fluoroquinolone Resistant Mutant of the AcrB Transporter fromSalmonella.
Microorganisms, 8, 2020
6Z1G
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BU of 6z1g by Molmil
CryoEM structure of the interaction between Rubisco Activase small-subunit-like (SSUL) domain with Rubisco from Nostoc sp. (strain PCC7120)
分子名称: Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase small chain, Ribulose bisphosphate carboxylase/oxygenase activase
著者Wang, H, Bracher, A, Flecken, M, Popilka, L, Hartl, F.U, Hayer-Hartl, M.
登録日2020-05-13
公開日2020-09-23
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (8.2 Å)
主引用文献Dual Functions of a Rubisco Activase in Metabolic Repair and Recruitment to Carboxysomes.
Cell, 183, 2020
6Z1Q
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BU of 6z1q by Molmil
MAP3K14 (NIK) in complex with DesF-3R/4076
分子名称: DesF-3R/4076, Mitogen-activated protein kinase kinase kinase 14
著者Jacoby, E, van Vlijmen, H, Querolle, O, Stansfield, I, Meerpoel, L, Versele, M, Hynd, G, Attar, R.
登録日2020-05-14
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献FEP+ calculations predict a stereochemical SAR switch for first-in-class indoline NIK inhibitors for multiple myeloma
Future Drug Discov, 2, 2020
6ZCI
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BU of 6zci by Molmil
Crystal structure of BRD4-BD1 in complex with NVS-BET-1
分子名称: (4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one, Bromodomain-containing protein 4
著者Faller, M.
登録日2020-06-11
公開日2020-12-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.976 Å)
主引用文献BET bromodomain inhibitors regulate keratinocyte plasticity.
Nat.Chem.Biol., 17, 2021
6ZD0
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BU of 6zd0 by Molmil
Disulfide-locked early prepore intermedilysin-CD59
分子名称: CD59 glycoprotein, Thiol-activated cytolysin
著者Shah, N.R, Bubeck, D.
登録日2020-06-13
公開日2020-11-18
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Structural basis for tuning activity and membrane specificity of bacterial cytolysins.
Nat Commun, 11, 2020
6Z2N
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BU of 6z2n by Molmil
Crystal structure of the ferric enterobactin receptor (PfeA) in complex with BCV-L6
分子名称: 1,2-ETHANEDIOL, BCV-L6, FE (III) ION, ...
著者Naismith, J.H, Moynie, L.M.
登録日2020-05-18
公開日2021-01-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.029 Å)
主引用文献Hijacking of the Enterobactin Pathway by a Synthetic Catechol Vector Designed for Oxazolidinone Antibiotic Delivery in Pseudomonas aeruginosa.
Acs Infect Dis., 2022
6Z31
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BU of 6z31 by Molmil
Human cation-independent mannose 6-phosphate/ IGF2 receptor domain 8
分子名称: CHLORIDE ION, Cation-independent mannose-6-phosphate receptor, SODIUM ION
著者Bochel, A.J, Williams, C, Crump, M.P.
登録日2020-05-19
公開日2020-08-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Structure of the Human Cation-Independent Mannose 6-Phosphate/IGF2 Receptor Domains 7-11 Uncovers the Mannose 6-Phosphate Binding Site of Domain 9.
Structure, 28, 2020
6ZEI
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BU of 6zei by Molmil
Structure of PP1-IRSp53 S455E chimera [PP1(7-304) + linker (G/S)x9 + IRSp53(449-465)] bound to Phactr1 (516-580)
分子名称: GLYCEROL, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Mouilleron, S, Treisman, R, Fedoryshchak, R, Lee, R, Butler, A.M, Prechova, M.
登録日2020-06-16
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme.
Elife, 9, 2020
6Z38
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BU of 6z38 by Molmil
TodX deltaS2S3 mutant monoaromatic hydrocarbon channel
分子名称: TodX
著者van den Berg, B.
登録日2020-05-19
公開日2020-11-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Uptake of monoaromatic hydrocarbons during biodegradation by FadL channel-mediated lateral diffusion.
Nat Commun, 11, 2020
6Z3H
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BU of 6z3h by Molmil
Repulsive Guidance Molecule B (RGMB) in complex with Growth Differentiation Factor 5 (GDF5) (crystal form 2)
分子名称: Growth/differentiation factor 5, RGM domain family member B
著者Malinauskas, T, Peer, T.V, Bishop, B, Muller, T.D, Siebold, C.
登録日2020-05-20
公開日2020-07-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.158 Å)
主引用文献Repulsive guidance molecules lock growth differentiation factor 5 in an inhibitory complex.
Proc.Natl.Acad.Sci.USA, 117, 2020
7QDP
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BU of 7qdp by Molmil
Crystal structure of FLT3 T343I in complex with the canonical ligand FL
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, Fms-related tyrosine kinase 3 ligand, ...
著者Pannecoucke, E, Savvides, S.N.
登録日2021-11-27
公開日2022-12-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.691 Å)
主引用文献Crystal structure of FLT3 T343I in complex with the canonical ligand FL
To Be Published
8R5T
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BU of 8r5t by Molmil
Crystal structure of NDM-1 in complex with benzobisheterocycle compound 14.
分子名称: Metallo-beta-lactamase type 2, SULFATE ION, ZINC ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2023-11-17
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Rational Design of Benzobisheterocycle Metallo-beta-Lactamase Inhibitors: A Tricyclic Scaffold Enhances Potency against Target Enzymes.
J.Med.Chem., 67, 2024
6Z6Y
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BU of 6z6y by Molmil
Galectin-8 N-terminal domain in complex with a sulfatide mimicking a sphingolipid
分子名称: ACETATE ION, Galectin-8, TRIETHYLENE GLYCOL, ...
著者Romero, A, Medrano, F.J.
登録日2020-05-29
公開日2020-12-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Probing sulfatide-tissue lectin recognition with functionalized glycodendrimersomes.
Iscience, 24, 2021
6Z74
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BU of 6z74 by Molmil
Structure of the transcriptional repressor Atu1419 (VanR) in complex with a fortuitous citrate from agrobacterium fabrum
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Morera, S, Vigouroux, V.
登録日2020-05-29
公開日2020-12-02
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Characterization of the first tetrameric transcription factor of the GntR superfamily with allosteric regulation from the bacterial pathogen Agrobacterium fabrum.
Nucleic Acids Res., 49, 2021
6Z7U
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BU of 6z7u by Molmil
Myosin-II motor domain complexed with blebbistatin in a new ADP-release conformation
分子名称: (-)-1-PHENYL-1,2,3,4-TETRAHYDRO-4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-4-ONE, 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ...
著者Ewert, W, Preller, M.
登録日2020-06-01
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Structural and Computational Insights into a Blebbistatin-Bound Myosin•ADP Complex with Characteristics of an ADP-Release Conformation along the Two-Step Myosin Power Stoke.
Int J Mol Sci, 21, 2020
6ZJ4
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BU of 6zj4 by Molmil
apo-Trehalose transferase (apo-TreT) from Thermoproteus uzoniensis
分子名称: THIOCYANATE ION, Trehalose phosphorylase/synthase
著者Bento, I, Mestrom, L, Marsden, S.R, van der Eijk, H, Laustsen, J.U, Jeffries, C.M, Svergun, D.I, Hagedoorn, P.-H, Hanefeld, U.
登録日2020-06-27
公開日2020-09-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Anomeric Selectivity of Trehalose Transferase with Rare l-Sugars.
Acs Catalysis, 10, 2020
6Z8E
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BU of 6z8e by Molmil
Human Picobirnavirus Ht-CP VLP
分子名称: Capsid protein precursor
著者Ortega-Esteban, A, Mata, C.P, Rodriguez-Espinosa, M.J, Luque, D, Irigoyen, N, Rodriguez, J.M, de Pablo, P.J, Caston, J.R.
登録日2020-06-02
公開日2020-09-23
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Cryo-electron Microscopy Structure, Assembly, and Mechanics Show Morphogenesis and Evolution of Human Picobirnavirus.
J.Virol., 94, 2020
6Z92
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BU of 6z92 by Molmil
[4Fe-4S]-dependent thiouracil desulfidase TudS (DUF523Vcz) solved by Fe-SAD phasing
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DUF523 domain-containing protein, ...
著者Pecqueur, L, Zhou, J, Fontecave, M, Golinelli-Pimpaneau, B.
登録日2020-06-03
公開日2020-09-30
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.067 Å)
主引用文献Structural Evidence for a [4Fe-5S] Intermediate in the Non-Redox Desulfuration of Thiouracil.
Angew.Chem.Int.Ed.Engl., 60, 2021
7QFY
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BU of 7qfy by Molmil
Fusarium oxysporum M36 protease without the propeptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Extracellular metalloproteinase, ...
著者Wilkens, C, Qiu, J, Meyer, A.S, Morth, J.P.
登録日2021-12-07
公開日2022-12-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Fusarium oxysporum M36 protease without the propeptide
To Be Published

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件を2024-07-10に公開中

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