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8FIC
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Crystal Structure of Erwinia tracheiphila CYP114 in complex with ent-kaurenoic acid (Crystal Form 1)
分子名称: (8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Stewart Jr, C.E, Nagel, R.
登録日2022-12-16
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FID
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Crystal Structure of Erwinia tracheiphila CYP114 in complex with ent-kaurenoic acid (Crystal Form 2)
分子名称: (8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Stewart Jr, C.E, Nagel, R.
登録日2022-12-16
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FIB
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BU of 8fib by Molmil
Crystal Structure of Erwinia tracheiphila CYP114
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Stewart Jr, C.E, Nagel, R.
登録日2022-12-16
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HS2
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BU of 8hs2 by Molmil
Orphan GPR20 in complex with Fab046
分子名称: Light chain of Fab046, Soluble cytochrome b562,G-protein coupled receptor 20, heavy chain of Fab046
著者Lin, X, Jiang, S, Xu, F.
登録日2022-12-16
公開日2023-03-08
最終更新日2023-03-15
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献The activation mechanism and antibody binding mode for orphan GPR20.
Cell Discov, 9, 2023
8C0F
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BU of 8c0f by Molmil
Tubulin-PTC596 complex
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-fluoranyl-2-(6-fluoranyl-2-methyl-benzimidazol-1-yl)-~{N}4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine, ...
著者Prota, A.E, Muehlethaler, T, Weetall, M, Steinmetz, M.O.
登録日2022-12-16
公開日2022-12-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1005 Å)
主引用文献Preclinical and Early Clinical Development of PTC596, a Novel Small-Molecule Tubulin-Binding Agent
Mol Cancer Ther, 20, 2021
8HRO
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BU of 8hro by Molmil
Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Corynebacterium glutamicum ATCC13032 in complex with NAD
分子名称: Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Son, H.F, Kim, K.J.
登録日2022-12-15
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structure-Guided Protein Engineering of Glyceraldehyde-3-phosphate Dehydrogenase from Corynebacterium glutamicum for Dual NAD/NADP Cofactor Specificity.
J.Agric.Food Chem., 71, 2023
8HRR
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Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Corynebacterium glutamicum ATCC13032 (L36S/T37K/F100V) in complex with NADP
分子名称: 1,2-ETHANEDIOL, Glyceraldehyde-3-phosphate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Son, H.F, Kim, K.J.
登録日2022-12-15
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Guided Protein Engineering of Glyceraldehyde-3-phosphate Dehydrogenase from Corynebacterium glutamicum for Dual NAD/NADP Cofactor Specificity.
J.Agric.Food Chem., 71, 2023
8HRT
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Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Corynebacterium glutamicum ATCC13032 (L36S/T37K/F100V/P192S) in complex with NADP
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, ...
著者Son, H.F, Kim, K.J.
登録日2022-12-15
公開日2023-12-06
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure-Guided Protein Engineering of Glyceraldehyde-3-phosphate Dehydrogenase from Corynebacterium glutamicum for Dual NAD/NADP Cofactor Specificity.
J.Agric.Food Chem., 71, 2023
8HRQ
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BU of 8hrq by Molmil
Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Corynebacterium glutamicum ATCC13032 (L36S/T37K) in complex with NAD
分子名称: 1,2-ETHANEDIOL, CESIUM ION, GLYCEROL, ...
著者Son, H.F, Kim, K.J.
登録日2022-12-15
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structure-Guided Protein Engineering of Glyceraldehyde-3-phosphate Dehydrogenase from Corynebacterium glutamicum for Dual NAD/NADP Cofactor Specificity.
J.Agric.Food Chem., 71, 2023
8HRS
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BU of 8hrs by Molmil
Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Corynebacterium glutamicum ATCC13032 (L36S/T37K/P192S) in complex with NADP
分子名称: GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Son, H.F, Kim, K.J.
登録日2022-12-15
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Guided Protein Engineering of Glyceraldehyde-3-phosphate Dehydrogenase from Corynebacterium glutamicum for Dual NAD/NADP Cofactor Specificity.
J.Agric.Food Chem., 71, 2023
8HRP
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BU of 8hrp by Molmil
Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Corynebacterium glutamicum ATCC13032 in complex with NAD and G3P
分子名称: 1,2-ETHANEDIOL, GLYCERALDEHYDE-3-PHOSPHATE, GLYCEROL, ...
著者Son, H.F, Kim, K.J.
登録日2022-12-15
公開日2023-12-06
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure-Guided Protein Engineering of Glyceraldehyde-3-phosphate Dehydrogenase from Corynebacterium glutamicum for Dual NAD/NADP Cofactor Specificity.
J.Agric.Food Chem., 71, 2023
8BZP
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BU of 8bzp by Molmil
JNK3 (Mitogen-activated protein kinase 10) in Complex with Compound 23 bearing a C(sp3)F2Br moiety
分子名称: 1,2-ETHANEDIOL, 2-bromanyl-2,2-bis(fluoranyl)-~{N}-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethanamide, BETA-MERCAPTOETHANOL, ...
著者Stahlecker, J, Vaas, S, Stehle, T, Boeckler, F.M.
登録日2022-12-15
公開日2023-08-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Principles and Applications of CF 2 X Moieties as Unconventional Halogen Bond Donors in Medicinal Chemistry, Chemical Biology, and Drug Discovery.
J.Med.Chem., 66, 2023
8FHS
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BU of 8fhs by Molmil
Human L-type voltage-gated calcium channel Cav1.2 in the presence of amiodarone and sofosbuvir at 3.3 Angstrom resolution
分子名称: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2022-12-15
公開日2023-12-13
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
8BZO
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BU of 8bzo by Molmil
Cryo-EM structure of CDK2-CyclinA in complex with p27 from the SCFSKP2 E3 ligase Complex
分子名称: Cyclin-A2, Cyclin-dependent kinase 2, Cyclin-dependent kinase inhibitor 1B
著者Rowland, R.J, Salamina, M, Endicott, J.A, Noble, M.E.
登録日2022-12-15
公開日2023-06-28
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structure of SKP1-SKP2-CKS1 in complex with CDK2-cyclin A-p27KIP1.
Sci Rep, 13, 2023
8BYQ
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BU of 8byq by Molmil
RNA polymerase II pre-initiation complex with the proximal +1 nucleosome (PIC-Nuc10W)
分子名称: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
著者Abril-Garrido, J, Dienemann, C, Grabbe, F, Velychko, T, Lidschreiber, M, Wang, H, Cramer, P.
登録日2022-12-14
公開日2023-05-03
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural basis of transcription reduction by a promoter-proximal +1 nucleosome.
Mol.Cell, 83, 2023
8BYX
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BU of 8byx by Molmil
HOXB13-homodimer bound to DNA
分子名称: DNA, Homeobox protein Hox-B13
著者Morgunova, E, Popov, A, Yin, Y, Taipale, J.
登録日2022-12-14
公開日2023-12-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献HOXB13-homodimer bound to DNA
To Be Published
8FHH
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BU of 8fhh by Molmil
Wildtype rabbit TRPV5 in nanodiscs in the presence of oleoyl coenzyme A, Closed stated
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ERGOSTEROL, Transient receptor potential cation channel subfamily V member 5
著者De Jesus-Perez, J.J, Moiseenkova-Bell, V.Y.
登録日2022-12-14
公開日2023-11-01
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Structural basis of the activation of TRPV5 channels by long-chain acyl-Coenzyme-A.
Nat Commun, 14, 2023
8FHI
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BU of 8fhi by Molmil
Wildtype rabbit TRPV5 in nanodiscs in complex with oleoyl coenzyme A, Open stated
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ERGOSTEROL, S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name), ...
著者De Jesus-Perez, J.J, Moiseenkova-Bell, V.Y.
登録日2022-12-14
公開日2023-11-01
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Structural basis of the activation of TRPV5 channels by long-chain acyl-Coenzyme-A.
Nat Commun, 14, 2023
8FHK
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Heterodimeric ABC transporter BmrCD in the occluded conformation bound to ATP: BmrCD_OC-ATP
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Tang, Q, Mchaourab, H.
登録日2022-12-14
公開日2023-11-15
最終更新日2023-11-22
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Asymmetric conformations and lipid interactions shape the ATP-coupled cycle of a heterodimeric ABC transporter.
Nat Commun, 14, 2023
8FHM
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RNase A-Uridine 5'-Hexaphosphate (RNaseA.p6U)
分子名称: 5'-O-[(S)-hydroxy{[(S)-hydroxy{[(R)-hydroxy{[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]uridine, Ribonuclease pancreatic
著者Park, G, Cummins, C.
登録日2022-12-14
公開日2023-12-20
最終更新日2024-08-07
実験手法SOLUTION SCATTERING (1.79 Å), X-RAY DIFFRACTION
主引用文献Pentaphosphorylation via the Anhydride of Dihydrogen Pentametaphosphate: Access to Nucleoside Hexa- and Heptaphosphates and Study of Their Interaction with Ribonuclease A.
Acs Cent.Sci., 10, 2024
8BZJ
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BU of 8bzj by Molmil
Human MST3 (STK24) kinase in complex with inhibitor MRLW5
分子名称: 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24
著者Balourdas, D.I, Rak, M, Tesch, R, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2022-12-14
公開日2023-01-18
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Development of Selective Pyrido[2,3- d ]pyrimidin-7(8 H )-one-Based Mammalian STE20-Like (MST3/4) Kinase Inhibitors.
J.Med.Chem., 67, 2024
8BZI
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BU of 8bzi by Molmil
Human MST3 (STK24) kinase in complex with inhibitor MR39
分子名称: 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-[2,5-bis(fluoranyl)-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24
著者Balourdas, D.I, Rak, M, Tesch, R, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2022-12-14
公開日2023-01-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Shifting the selectivity of pyrido[2,3-d]pyrimidin-7(8H)-one inhibitors towards the salt-inducible kinase (SIK) subfamily.
Eur.J.Med.Chem., 254, 2023
8HQ4
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B27 in complex with CRM1-Ran-RanBP1
分子名称: 3-[(4-fluorophenyl)carbonylamino]-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzoic acid, CHLORIDE ION, CRM1 isoform 1, ...
著者Lei, Y, Sun, Q.
登録日2022-12-13
公開日2023-12-20
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献B27 in complex with CRM1-Ran-RanBP1
To Be Published
8HQ5
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G6 in complex with CRM1-Ran-RanBP1
分子名称: 3-[(4-bromophenyl)carbonylamino]-4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]benzoic acid, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ...
著者Sun, Q, Lei, Y.
登録日2022-12-13
公開日2023-12-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献F1 in complex with CRM1-Ran-RanBP1
To Be Published
8HQC
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BU of 8hqc by Molmil
Structure of a GPCR-G protein in complex with a natural peptide agonist
分子名称: Antibody fragment, C5a anaphylatoxin, C5a anaphylatoxin chemotactic receptor 1, ...
著者Saha, S, Maharana, J, Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K.
登録日2022-12-13
公開日2023-10-18
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.89 Å)
主引用文献Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors.
Cell, 186, 2023

223532

件を2024-08-07に公開中

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