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6VQG
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BU of 6vqg by Molmil
Mammalian V-ATPase from rat brain membrane-embedded Vo region rotational state 2 (from focused refinement)
分子名称: ATPase H+-transporting V1 subunit D, ATPase, H+ transporting, ...
著者Abbas, Y.M, Rubinstein, J.L.
登録日2020-02-05
公開日2020-03-18
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structure of V-ATPase from the mammalian brain.
Science, 367, 2020
6VQC
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BU of 6vqc by Molmil
Mammalian V-ATPase from rat brain membrane-embedded Vo region rotational state 1 (from focused refinement)
分子名称: ATPase H+-transporting V1 subunit D, ATPase, H+ transporting, ...
著者Abbas, Y.M, Rubinstein, J.L.
登録日2020-02-04
公開日2020-03-18
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure of V-ATPase from the mammalian brain.
Science, 367, 2020
5J9L
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BU of 5j9l by Molmil
Crystal structure of CPT1691 bound to TAK1-TAB1
分子名称: Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, N-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide
著者Gurbani, D, Westover, K.D.
登録日2016-04-10
公開日2017-02-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7515 Å)
主引用文献Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
1BY1
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BU of 1by1 by Molmil
DBL homology domain from beta-PIX
分子名称: PROTEIN (PIX)
著者Aghazadeh, B, Zhu, K, Kubiseski, T.J, Liu, G.A, Pawson, T, Zheng, Y, Rosen, M.K.
登録日1998-10-22
公開日1999-10-24
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Structure and Mutagenesis of the Dbl Homology Domain
Nat.Struct.Biol., 5, 1998
1C23
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BU of 1c23 by Molmil
E. COLI METHIONINE AMINOPEPTIDASE: METHIONINE PHOSPHONATE COMPLEX
分子名称: (1-AMINO-3-METHYLSULFANYL-PROPYL)-PHOSPHONIC ACID, COBALT (II) ION, METHIONINE AMINOPEPTIDASE, ...
著者Lowther, W.T, Zhang, Y, Sampson, P.B, Honek, J.F, Matthews, B.W.
登録日1999-07-22
公開日1999-11-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insights into the mechanism of Escherichia coli methionine aminopeptidase from the structural analysis of reaction products and phosphorus-based transition-state analogues.
Biochemistry, 38, 1999
5UDA
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BU of 5uda by Molmil
Crystal structure of CYP2B6 (Y226H/K262R) in complex with a monoterpene bornane
分子名称: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, CAMPHANE, Cytochrome P450 2B6, ...
著者Shah, M.B, Halpert, J.R.
登録日2016-12-24
公開日2017-04-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity.
ACS Chem. Biol., 12, 2017
8BXU
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BU of 8bxu by Molmil
Crystal structure of Odorant Binding Protein 5 from Anopheles gambiae (AgamOBP5) with MPD (2-Methyl-2,4-pentanediol)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-ETHOXYETHANOL, Odorant binding protein, ...
著者Liggri, P.G.V, Tsitsanou, K.E, Zographos, S.E.
登録日2022-12-09
公開日2023-03-22
最終更新日2023-04-12
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献The structure of AgamOBP5 in complex with the natural insect repellents Carvacrol and Thymol: Crystallographic, fluorescence and thermodynamic binding studies.
Int.J.Biol.Macromol., 237, 2023
8BXV
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BU of 8bxv by Molmil
Crystal structure of Odorant Binding Protein 5 from Anopheles gambiae (AgamOBP5) with Thymol
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-METHYL-2-(1-METHYLETHYL)PHENOL, DI(HYDROXYETHYL)ETHER, ...
著者Liggri, P.G.V, Tsitsanou, K.E, Zographos, S.E.
登録日2022-12-10
公開日2023-03-22
最終更新日2023-04-12
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The structure of AgamOBP5 in complex with the natural insect repellents Carvacrol and Thymol: Crystallographic, fluorescence and thermodynamic binding studies.
Int.J.Biol.Macromol., 237, 2023
8BXW
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BU of 8bxw by Molmil
Crystal structure of Odorant Binding Protein 5 from Anopheles gambiae (AgamOBP5) with Carvacrol
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-BUTANOL, 2-methyl-5-propan-2-yl-phenol, ...
著者Liggri, P.G.V, Tsitsanou, K.E, Zographos, S.E.
登録日2022-12-10
公開日2023-03-22
最終更新日2023-04-12
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The structure of AgamOBP5 in complex with the natural insect repellents Carvacrol and Thymol: Crystallographic, fluorescence and thermodynamic binding studies.
Int.J.Biol.Macromol., 237, 2023
5H1L
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BU of 5h1l by Molmil
Crystal structure of WD40 repeat domains of Gemin5 in complex with 7-nt U4 snRNA fragment
分子名称: GLYCEROL, Gem-associated protein 5, U4 snRNA (5'-R(*AP*UP*UP*UP*UP*UP*G)-3')
著者Jin, W, Wang, Y, Liu, C.P, Yang, N, Jin, M, Cong, Y, Wang, M, Xu, R.M.
登録日2016-10-10
公開日2016-11-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for snRNA recognition by the double-WD40 repeat domain of Gemin5
Genes Dev., 30, 2016
6UMA
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BU of 6uma by Molmil
Crystal structure of the TRIM7 B30.2 domain at 1.6 angstrom resolution
分子名称: E3 ubiquitin-protein ligase TRIM7, GLYCEROL, MALONATE ION
著者Munoz Sosa, C.J, Carrizo, M.E.
登録日2019-10-09
公開日2021-04-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure and mutational analysis of the human TRIM7 B30.2 domain provide insights into the molecular basis of its binding to glycogenin-1.
J.Biol.Chem., 296, 2021
6UMB
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BU of 6umb by Molmil
Crystal structure of TRIM7 B30.2 domain at 1.8 angstrom resolution
分子名称: BETA-MERCAPTOETHANOL, E3 ubiquitin-protein ligase TRIM7, MALONATE ION
著者Munoz Sosa, C.J, Carrizo, M.E.
登録日2019-10-09
公開日2021-04-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure and mutational analysis of the human TRIM7 B30.2 domain provide insights into the molecular basis of its binding to glycogenin-1.
J.Biol.Chem., 296, 2021
5UFG
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BU of 5ufg by Molmil
Crystal Structure of CYP2B6 (Y226H/K262R/I114V) in complex with myrtenyl bromide
分子名称: (1S,5R)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
著者Shah, M.B, Halpert, J.R.
登録日2017-01-04
公開日2017-04-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity.
ACS Chem. Biol., 12, 2017
6UYO
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BU of 6uyo by Molmil
Crystal structure of K37-acetylated SUMO1 in complex with PML-SIM
分子名称: Protein PML, Small ubiquitin-related modifier 1
著者Wahba, H.M, Gagnon, C, Mascle, X.H, Lussier-Price, M, Sakaguchi, K, Omichinski, J.G.
登録日2019-11-14
公開日2019-11-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.639 Å)
主引用文献Acetylation of SUMO1 Alters Interactions with the SIMs of PML and Daxx in a Protein-Specific Manner.
Structure, 28, 2020
6UYX
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BU of 6uyx by Molmil
Crystal structure of K37-acetylated SUMO1 in complex with phosphorylated DAXX
分子名称: Small ubiquitin-related modifier 1, phosphorylated DAXX
著者Wahba, H.M, Gagnon, C, Mascle, X.H, Lussier-Price, M, Cappadocia, L, Sakaguchi, K, Omichinski, J.G.
登録日2019-11-14
公開日2019-11-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Acetylation of SUMO1 Alters Interactions with the SIMs of PML and Daxx in a Protein-Specific Manner.
Structure, 28, 2020
8CEN
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BU of 8cen by Molmil
Yeast RNA polymerase II transcription pre-initiation complex with core Mediator
分子名称: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
著者Wang, H, Schilbach, S, Cramer, P.
登録日2023-02-02
公開日2023-03-22
最終更新日2023-04-19
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Yeast PIC-Mediator structure with RNA polymerase II C-terminal domain.
Proc.Natl.Acad.Sci.USA, 120, 2023
8CIA
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BU of 8cia by Molmil
Crystal structure of the kelch domain of human KLHL20
分子名称: Kelch like family member 20, Kelch-like protein 20
著者Sweeney, M.N, Bradshaw, W.J, Chen, Z, Bullock, A.N.
登録日2023-02-09
公開日2023-03-22
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (3.72 Å)
主引用文献Crystal structure of the kelch domain of human KLHL20
To Be Published
8C18
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BU of 8c18 by Molmil
Solution structure of carotenoid-binding protein AstaPo1 in complex with astaxanthin
分子名称: ASTAXANTHIN, Astaxanthin binding fasciclin family protein
著者Kornilov, F.D, Savitskaya, A.G, Slonimskiy, Y.B, Goncharuk, S.A, Sluchanko, N.N, Mineev, K.S.
登録日2022-12-20
公開日2023-04-05
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Structural basis for the ligand promiscuity of the neofunctionalized, carotenoid-binding fasciclin domain protein AstaP.
Commun Biol, 6, 2023
1C8W
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BU of 1c8w by Molmil
THR45GLY VARIANT OF RIBONUCLEASE A
分子名称: ACETATE ION, CHLORIDE ION, PROTEIN (Ribonuclease A)
著者Kelemen, B.R, Sweeney, R.T, Schultz, L.W, Raines, R.T.
登録日1999-07-30
公開日2002-05-01
最終更新日2018-03-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Excavating an active site: the nucleobase specificity of ribonuclease A.
Biochemistry, 39, 2000
6VQ6
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BU of 6vq6 by Molmil
Mammalian V-ATPase from rat brain - composite model of rotational state 1 bound to ADP and SidK (built from focused refinement models)
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATPase H+-transporting V1 subunit A, ATPase H+-transporting V1 subunit D, ...
著者Abbas, Y.M, Rubinstein, J.L.
登録日2020-02-04
公開日2020-03-18
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structure of V-ATPase from the mammalian brain.
Science, 367, 2020
6W9D
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BU of 6w9d by Molmil
RNF12 RING domain in complex with a Ube2d2~Ub conjugate
分子名称: E3 ubiquitin-protein ligase RLIM, IODIDE ION, Ubiquitin, ...
著者Middleton, A.J, Day, C.L.
登録日2020-03-22
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献The RING Domain of RING Finger 12 Efficiently Builds Degradative Ubiquitin Chains.
J.Mol.Biol., 432, 2020
8C0C
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BU of 8c0c by Molmil
X-ray crystal structure of PPAR gamma ligand binding domain in complex with CZ46
分子名称: (2~{R})-2-[4-(naphthalen-1-ylmethoxy)phenyl]-4-oxidanyl-3-phenyl-2~{H}-furan-5-one, Peroxisome proliferator-activated receptor gamma
著者Capelli, D, Montanari, R, Pochetti, G, Villa, S, Meneghetti, F.
登録日2022-12-16
公開日2023-04-26
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Biological Screening and Crystallographic Studies of Hydroxy gamma-Lactone Derivatives to Investigate PPAR gamma Phosphorylation Inhibition.
Biomolecules, 13, 2023
6TTH
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BU of 6tth by Molmil
PKM2 in complex with L-threonine
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, Pyruvate kinase PKM, THREONINE
著者Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A.
登録日2019-12-27
公開日2020-01-15
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
8BLL
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BU of 8bll by Molmil
Structure of RutB
分子名称: ACETATE ION, Ureidoacrylate amidohydrolase RutB
著者Rajendran, C.
登録日2022-11-09
公開日2023-01-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structural and Functional Characterization of the Ureidoacrylate Amidohydrolase RutB from Escherichia coli .
Biochemistry, 62, 2023
6TTQ
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BU of 6ttq by Molmil
PKM2 in complex with Compound 10
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 1-propan-2-yl-3-pyridin-4-yl-urea, Pyruvate kinase PKM
著者Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A.
登録日2019-12-30
公開日2020-01-15
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020

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