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6WVO
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BU of 6wvo by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase In Complex with GD and HI-6
分子名称: (1R)-1,2,2-TRIMETHYLPROPYL (S)-METHYLPHOSPHINATE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者McGuire, J.R, Bester, S.M, Pegan, S.D, Height, J.J.
登録日2020-05-06
公開日2021-03-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural and Biochemical Insights into the Inhibition of Human Acetylcholinesterase by G-Series Nerve Agents and Subsequent Reactivation by HI-6.
Chem.Res.Toxicol., 34, 2021
6Q96
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BU of 6q96 by Molmil
HDM2 (17-111, WILD TYPE) COMPLEXED WITH COMPOUND 12 AT 1.8A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes
分子名称: 4-[(4~{S})-5-(5-chloranyl-2-oxidanylidene-1~{H}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Kallen, J.
登録日2018-12-17
公開日2019-05-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes.
Chemmedchem, 14, 2019
9HL5
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BU of 9hl5 by Molmil
Crystal structure of halo-tolerant PETase from marine metagenome (HaloPETase1)
分子名称: 1,2-ETHANEDIOL, Alpha/beta hydrolase, DI(HYDROXYETHYL)ETHER, ...
著者Turak, O, Kriegel, M, Hocker, B.
登録日2024-12-04
公開日2025-10-01
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献A third type of PETase from the marine Halopseudomonas lineage.
Protein Sci., 34, 2025
7T1J
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BU of 7t1j by Molmil
Crystal structure of RUBISCO from Rhodospirillaceae bacterium BRH_c57
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase
著者Pereira, J.H, Liu, A.K, Shih, P.M, Adams, P.D.
登録日2021-12-02
公開日2022-09-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural plasticity enables evolution and innovation of RuBisCO assemblies.
Sci Adv, 8, 2022
7SUG
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BU of 7sug by Molmil
Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 09
分子名称: 1,2-ETHANEDIOL, 1-(2-{[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]amino}quinazolin-8-yl)cyclopropane-1-carbonitrile, Serine/threonine-protein kinase Chk1
著者Palte, R.L.
登録日2021-11-17
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors.
J.Med.Chem., 65, 2022
7SUH
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BU of 7suh by Molmil
Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 15
分子名称: 1-[5-chloro-4-({6-chloro-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-yl}amino)-1H-pyrazol-1-yl]-2-methylpropan-2-ol, Serine/threonine-protein kinase Chk1
著者Palte, R.L.
登録日2021-11-17
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors.
J.Med.Chem., 65, 2022
3ILK
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BU of 3ilk by Molmil
The structure of a probable methylase family protein from Haemophilus influenzae Rd KW20
分子名称: 1,2-ETHANEDIOL, ACETATE ION, SULFATE ION, ...
著者Tan, K, Li, H, Buck, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-08-07
公開日2009-09-01
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献The structure of a probable methylase family protein from Haemophilus influenzae Rd KW20
To be Published
8J1N
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BU of 8j1n by Molmil
Structure of human UCP1 in the DNP-bound state
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2,4-DINITROPHENOL, CARDIOLIPIN, ...
著者Chen, L, Kang, Y.
登録日2023-04-13
公開日2023-06-21
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (2.51 Å)
主引用文献Structural basis for the binding of DNP and purine nucleotides onto UCP1.
Nature, 620, 2023
6ETD
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BU of 6etd by Molmil
The Structure of the Mo-insertase domain Cnx1E from Arabidopsis thaliana in complex with AMP
分子名称: 1,2-ETHANEDIOL, ACETYL GROUP, ADENOSINE MONOPHOSPHATE, ...
著者Krausze, J.
登録日2017-10-26
公開日2018-07-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.723 Å)
主引用文献The functional principle of eukaryotic molybdenum insertases.
Biochem. J., 475, 2018
6PTX
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BU of 6ptx by Molmil
Dark, 100K, PCM Myxobacterial Phytochrome, P2, Wild Type,
分子名称: 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP
著者Pandey, S, Schmidt, M, Stojkovic, E.A.
登録日2019-07-16
公開日2019-10-09
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献High-resolution crystal structures of a myxobacterial phytochrome at cryo and room temperatures.
Struct Dyn., 6, 2019
5OAE
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BU of 5oae by Molmil
Crystal Structure of tyrosinase from Bacillus megaterium with SVF inhibitor in the active site
分子名称: 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone, COPPER (II) ION, Tyrosinase
著者Deri, B, Gitto, R, Pazy Benhar, Y, Fishman, A.
登録日2017-06-21
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Targeting Tyrosinase: Development and Structural Insights of Novel Inhibitors Bearing Arylpiperidine and Arylpiperazine Fragments.
J. Med. Chem., 61, 2018
3ABN
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BU of 3abn by Molmil
Crystal structure of (Pro-Pro-Gly)4-Hyp-Asp-Gly-(Pro-Pro-Gly)4 at 1.02 A
分子名称: collagen-like peptide
著者Okuyama, K, Shimura, M, Kawaguchi, T, Noguchi, K, Mizuno, K, Bachinger, H.P.
登録日2009-12-16
公開日2010-12-01
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Crystal structure of the collagen model peptide (Pro-Pro-Gly)4 -Hyp-Asp-Gly-(Pro-Pro-Gly)4 at 1.0 angstrom resolution.
Biopolymers, 99, 2013
7T1G
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BU of 7t1g by Molmil
Crystal structure of CAB1 Pantothenate Kinase from Saccharomyces cerevisiae in complex with compound YU385595
分子名称: (8S)-N~2~-[(4-tert-butylphenyl)methyl]-N~7~,N~7~-dimethyl-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine, Pantothenate kinase CAB1
著者Gihaz, S, Ben Mamoun, C.
登録日2021-12-01
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-resolution crystal structure and chemical screening reveal pantothenate kinase as a new target for antifungal development.
Structure, 30, 2022
6R1N
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BU of 6r1n by Molmil
Crystal structure of S. aureus seryl-tRNA synthetase complexed to seryl sulfamoyl adenosine
分子名称: 1,2-ETHANEDIOL, 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, DI(HYDROXYETHYL)ETHER, ...
著者Salimraj, R, Cain, R, Roper, D.I.
登録日2019-03-14
公開日2020-01-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structure-Guided Enhancement of Selectivity of Chemical Probe Inhibitors Targeting Bacterial Seryl-tRNA Synthetase.
J.Med.Chem., 62, 2019
7SE8
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BU of 7se8 by Molmil
Crystal structure of human Fibrillarin in complex with fragment 1 from cocktail soak
分子名称: (5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
6R1M
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BU of 6r1m by Molmil
Crystal structure of E. coli seryl-tRNA synthetase complexed to seryl sulfamoyl adenosine
分子名称: 1,2-ETHANEDIOL, 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, PHOSPHATE ION, ...
著者Salimraj, R, Cain, R, Roper, D.I.
登録日2019-03-14
公開日2020-01-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Guided Enhancement of Selectivity of Chemical Probe Inhibitors Targeting Bacterial Seryl-tRNA Synthetase.
J.Med.Chem., 62, 2019
7SE9
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BU of 7se9 by Molmil
Crystal structure of human Fibrillarin in complex with compound 1 from single soak
分子名称: (5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
5A6W
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BU of 5a6w by Molmil
Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikD with the HMA domain of Pikp1 from rice (Oryza sativa)
分子名称: 1,2-ETHANEDIOL, AVR-PIK PROTEIN, RESISTANCE PROTEIN PIKP-1, ...
著者Maqbool, A, Saitoh, H, Franceschetti, M, Stevenson, C.E, Uemura, A, Kanzaki, H, Kamoun, S, Terauchi, R, Banfield, M.J.
登録日2015-07-01
公開日2015-08-26
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis of pathogen recognition by an integrated HMA domain in a plant NLR immune receptor.
Elife, 4, 2015
5HNZ
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BU of 5hnz by Molmil
Structural basis of backwards motion in kinesin-14: plus-end directed nKn669 in the nucleotide-free state
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Shigematsu, H, Yokoyama, T, Kikkawa, M, Shirouzu, M, Nitta, R.
登録日2016-01-19
公開日2016-08-10
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (5.8 Å)
主引用文献Structural Basis of Backwards Motion in Kinesin-1-Kinesin-14 Chimera: Implication for Kinesin-14 Motility
Structure, 24, 2016
7S4K
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BU of 7s4k by Molmil
CryoEM structure of Methylococcus capsulatus (Bath) pMMO in a native lipid nanodisc at 2.34 Angstrom resolution
分子名称: 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dihexanoyl-sn-glycero-3-phosphocholine, Ammonia monooxygenase/methane monooxygenase, ...
著者Koo, C.W, Rosenzweig, A.C.
登録日2021-09-09
公開日2022-03-30
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.36 Å)
主引用文献Recovery of particulate methane monooxygenase structure and activity in a lipid bilayer.
Science, 375, 2022
7S4I
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BU of 7s4i by Molmil
CryoEM structure of Methylococcus capsulatus (Bath) pMMO in a native lipid nanodisc at 2.26 Angstrom resolution
分子名称: 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dihexanoyl-sn-glycero-3-phosphocholine, Ammonia monooxygenase/methane monooxygenase, ...
著者Koo, C.W, Rosenzweig, A.C.
登録日2021-09-09
公開日2022-03-30
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.26 Å)
主引用文献Recovery of particulate methane monooxygenase structure and activity in a lipid bilayer.
Science, 375, 2022
6F4U
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BU of 6f4u by Molmil
Crystal structure of reactive loop cleaved kallistatin at 1.9 angstrom resolution
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Zhou, A, Wei, Z, Lin, F.
登録日2017-11-30
公開日2018-12-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of human Kallistatin
To Be Published
7S4J
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BU of 7s4j by Molmil
CryoEM structure of Methylococcus capsulatus (Bath) pMMO in a native lipid nanodisc at 2.16 Angstrom resolution
分子名称: 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dihexanoyl-sn-glycero-3-phosphocholine, Ammonia monooxygenase/methane monooxygenase, ...
著者Koo, C.W, Rosenzweig, A.C.
登録日2021-09-09
公開日2022-03-30
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.16 Å)
主引用文献Recovery of particulate methane monooxygenase structure and activity in a lipid bilayer.
Science, 375, 2022
7S4H
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BU of 7s4h by Molmil
CryoEM structure of Methylococcus capsulatus (Bath) pMMO in a native lipid nanodisc at 2.14 Angstrom resolution
分子名称: 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dihexanoyl-sn-glycero-3-phosphocholine, Ammonia monooxygenase/methane monooxygenase, ...
著者Koo, C.W, Rosenzweig, A.C.
登録日2021-09-08
公開日2022-03-30
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.14 Å)
主引用文献Recovery of particulate methane monooxygenase structure and activity in a lipid bilayer.
Science, 375, 2022
7CGP
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BU of 7cgp by Molmil
Cryo-EM structure of the human mitochondrial translocase TIM22 complex at 3.7 angstrom.
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Acylglycerol kinase, mitochondrial, ...
著者Qi, L, Wang, Q, Guan, Z, Yan, C, Yin, P.
登録日2020-07-01
公開日2020-10-14
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-EM structure of the human mitochondrial translocase TIM22 complex.
Cell Res., 31, 2021

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