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7A0X
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BU of 7a0x by Molmil
Structure of dimeric sodium proton antiporter NhaA, at pH 6.0, crystallized with chimeric Fab antibodies
分子名称: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CALCIUM ION, ...
著者Fippel, A, Lentes, C.J, Mir, S.H, Wirth, C, Hunte, C.
登録日2020-08-11
公開日2022-02-23
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Molecular determinants for substrate uptake in electrogenic sodium/proton antiporters
To Be Published
7V28
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BU of 7v28 by Molmil
Crystal Structure of phthalate dioxygenase in complex with terephthalate
分子名称: FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, Rieske (2Fe-2S) domain protein, ...
著者Mahto, J.K, Kumar, P.
登録日2021-08-07
公開日2021-12-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Molecular insights into substrate recognition and catalysis by phthalate dioxygenase from Comamonas testosteroni.
J.Biol.Chem., 297, 2021
5VZ0
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BU of 5vz0 by Molmil
Crystal structure of Lactococcus lactis pyruvate carboxylase G746A mutant in complex with cyclic-di-AMP
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Choi, P.H, Tong, L.
登録日2017-05-26
公開日2017-08-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and functional studies of pyruvate carboxylase regulation by cyclic di-AMP in lactic acid bacteria.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6YB9
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BU of 6yb9 by Molmil
Human octameric PAICS in complex with SAICAR, AMP-PNP, and magnesium
分子名称: (2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
著者Skerlova, J, Unterlass, J, Gottmann, M, Homan, E, Helleday, T, Jemth, A.S, Stenmark, P.
登録日2020-03-16
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.406 Å)
主引用文献Crystal structures of human PAICS reveal substrate and product binding of an emerging cancer target.
J.Biol.Chem., 295, 2020
5BXR
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BU of 5bxr by Molmil
LNBase in complex with LNB-NHAcDNJ
分子名称: 2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN, Lacto-N-biosidase, SULFATE ION, ...
著者Ito, T, Arakawa, T, Fushinobu, S.
登録日2015-06-09
公開日2015-09-09
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Gaining insight into the catalysis by GH20 lacto-N-biosidase using small molecule inhibitors and structural analysis
Chem.Commun.(Camb.), 51, 2015
7A0Y
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BU of 7a0y by Molmil
Structure of dimeric sodium proton antiporter NhaA K300R variant, at pH 8.2, crystallized with chimeric Fab antibodies
分子名称: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ...
著者Fippel, A, Mir, S.H, Lentes, C.J, Wirth, C, Hunte, C.
登録日2020-08-11
公開日2022-02-23
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Molecular determinants for substrate uptake in electrogenic sodium/proton antiporters
To Be Published
8YSW
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BU of 8ysw by Molmil
phosphinothricin dehydrogenase
分子名称: 1,2-ETHANEDIOL, Glutamate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Xue, Y.P, Cheng, F, Zhou, S.P, Xu, J.M, Jin, L.Q, Ma, C.J, Zheng, Y.G.
登録日2024-03-23
公開日2025-04-09
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Crystal Structure of phosphinothricin dehydrogenase with NAD at 2.6 Angstorms resolution
To Be Published
5GU3
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BU of 5gu3 by Molmil
Crystal structure of Au(E).CL-apo-E45C/R52C-rHLFr
分子名称: 1,2-ETHANEDIOL, CADMIUM ION, Ferritin light chain, ...
著者Maity, B, Abe, S, Ueno, T.
登録日2016-08-24
公開日2017-03-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Observation of gold sub-nanocluster nucleation within a crystalline protein cage
Nat Commun, 8, 2017
8FKF
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BU of 8fkf by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR36706
分子名称: 1,2-ETHANEDIOL, 2-chloro-N-(5-fluoropyridin-3-yl)-5-nitrobenzamide, GLYCEROL, ...
著者MacTavish, B.S, Kojetin, D.J.
登録日2022-12-21
公開日2024-04-17
最終更新日2025-04-30
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Ligand efficacy shifts a nuclear receptor conformational ensemble between transcriptionally active and repressive states.
Nat Commun, 16, 2025
4QGP
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BU of 4qgp by Molmil
Crystal structure of a pyrophosphatase (AF1178) from Archaeoglobus fulgidus DSM 4304 at 1.80 A resolution
分子名称: CHLORIDE ION, MAGNESIUM ION, SODIUM ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2014-05-23
公開日2014-07-02
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal structure of a pyrophosphatase (AF1178) from Archaeoglobus fulgidus DSM 4304 at 1.80 A resolution
To be published
8FKD
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BU of 8fkd by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33068
分子名称: 1,2-ETHANEDIOL, 2-chloro-N-(6-cyanopyridin-3-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ...
著者MacTavish, B.S, Kojetin, D.J.
登録日2022-12-21
公開日2024-04-17
最終更新日2025-04-30
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Ligand efficacy shifts a nuclear receptor conformational ensemble between transcriptionally active and repressive states.
Nat Commun, 16, 2025
8FKG
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BU of 8fkg by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33486
分子名称: 1,2-ETHANEDIOL, 2-chloro-N-(5-cyanopyridin-2-yl)-5-nitrobenzamide, GLYCEROL, ...
著者MacTavish, B.S, Kojetin, D.J.
登録日2022-12-21
公開日2024-04-17
最終更新日2025-04-30
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Ligand efficacy shifts a nuclear receptor conformational ensemble between transcriptionally active and repressive states.
Nat Commun, 16, 2025
8FKC
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BU of 8fkc by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33544
分子名称: 1,2-ETHANEDIOL, 2-chloro-N-(5-cyanopyridin-3-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ...
著者MacTavish, B.S, Kojetin, D.J.
登録日2022-12-21
公開日2024-04-17
最終更新日2025-04-30
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Ligand efficacy shifts a nuclear receptor conformational ensemble between transcriptionally active and repressive states.
Nat Commun, 16, 2025
6EQ8
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BU of 6eq8 by Molmil
Structure of the periplasmic binding protein (PBP) MelB (Atu4661) in complex with galactinol from agrobacterium fabrum C58
分子名称: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, CALCIUM ION, ...
著者Vigouroux, A, Morera, S.
登録日2017-10-12
公開日2018-04-18
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献The plant defense signal galactinol is specifically used as a nutrient by the bacterial pathogenAgrobacterium fabrum.
J. Biol. Chem., 293, 2018
8FKE
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BU of 8fke by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR32904
分子名称: 1,2-ETHANEDIOL, 2-chloro-N-(2-methylpyridin-4-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ...
著者MacTavish, B.S, Kojetin, D.J.
登録日2022-12-21
公開日2024-04-17
最終更新日2025-04-30
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Ligand efficacy shifts a nuclear receptor conformational ensemble between transcriptionally active and repressive states.
Nat Commun, 16, 2025
6T03
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BU of 6t03 by Molmil
Crystal structure of YTHDC1 with fragment 16 (DHU_DC1_017)
分子名称: 1,3-dihydroimidazole-2-thione, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-02
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
8ZIM
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BU of 8zim by Molmil
Crystal structure of the methyltransferase PsiM in complex with SAH and Baeocystin
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Baeocystin, GLYCEROL, ...
著者Meng, C.Y, Wen, Y, Guo, W.T, Wu, B.X.
登録日2024-05-14
公開日2025-04-02
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis for psilocybin biosynthesis.
Nat Commun, 16, 2025
8ABU
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BU of 8abu by Molmil
Crystal structure of NaLdpA mutant H97Q in complex with erythro-DGPD
分子名称: (1S,2R)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol, SnoaL-like domain-containing protein
著者Zahn, M, Kuatsjah, E, Beckham, G.T, McGeehan, J.E.
登録日2022-07-04
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.661 Å)
主引用文献Biochemical and structural characterization of a sphingomonad diarylpropane lyase for cofactorless deformylation.
Proc.Natl.Acad.Sci.USA, 120, 2023
6MXT
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BU of 6mxt by Molmil
Crystal structure of human beta2 adrenergic receptor bound to salmeterol and Nb71
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Endolysin, ...
著者Masureel, M, Zou, Y, Picard, L.P, van der Westhuizen, E, Mahoney, J.P, Rodrigues, J.P.G.L.M, Mildorf, T.J, Dror, R.O, Shaw, D.E, Bouvier, M, Pardon, E, Steyaert, J, Sunahara, R.K, Weis, W.I, Zhang, C, Kobilka, B.K.
登録日2018-10-31
公開日2018-11-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.95934224 Å)
主引用文献Structural insights into binding specificity, efficacy and bias of a beta2AR partial agonist.
Nat. Chem. Biol., 14, 2018
9G0D
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BU of 9g0d by Molmil
Structure of human Mical1 bMERB_V978A domain:Rab10 complex.
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-10, ...
著者Rai, A, Goody, R.S.
登録日2024-07-08
公開日2025-07-02
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Biochemical and structural insights into the auto-inhibited state of Mical1 and its activation by Rab8
Elife, 2024
5M6D
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BU of 5m6d by Molmil
Streptococcus pneumoniae Glyceraldehyde-3-Phosphate Dehydrogenase (SpGAPDH) crystal structure
分子名称: ACETIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Gaboriaud, C, Moreau, C.P, Di Guilmi, A.M.
登録日2016-10-25
公開日2017-01-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Deciphering Key Residues Involved in the Virulence-promoting Interactions between Streptococcus pneumoniae and Human Plasminogen.
J. Biol. Chem., 292, 2017
8ABW
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BU of 8abw by Molmil
Crystal structure of SpLdpA in complex with threo-DGPD
分子名称: (1R,2R)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol, (1S,2S)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol, SULFATE ION, ...
著者Zahn, M, Kuatsjah, E, Beckham, G.T, McGeehan, J.E.
登録日2022-07-04
公開日2023-02-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Biochemical and structural characterization of a sphingomonad diarylpropane lyase for cofactorless deformylation.
Proc.Natl.Acad.Sci.USA, 120, 2023
5JRQ
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BU of 5jrq by Molmil
BRAFV600E Kinase Domain In Complex with Chemically Linked Vemurafenib Inhibitor VEM-6-VEM
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, N-{2,4-difluoro-3-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl}propane-1-sulfonamide, ...
著者Grasso, M.J, Marmorstein, R.
登録日2016-05-06
公開日2016-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.287 Å)
主引用文献Chemically Linked Vemurafenib Inhibitors Promote an Inactive BRAF(V600E) Conformation.
Acs Chem.Biol., 11, 2016
7S8W
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BU of 7s8w by Molmil
Amycolatopsis sp. T-1-60 N-succinylamino acid racemase/o-succinylbenzoate synthase R266Q mutant in complex with N-succinylphenylglycine
分子名称: MAGNESIUM ION, N-succinyl-L-phenylglycine, N-succinylamino acid racemase/O-succinylbenzoate synthase, ...
著者Truong, D.P, Rousseau, S, Sacchettini, J.C, Glasner, M.E.
登録日2021-09-20
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Second-Shell Amino Acid R266 Helps Determine N -Succinylamino Acid Racemase Reaction Specificity in Promiscuous N -Succinylamino Acid Racemase/ o -Succinylbenzoate Synthase Enzymes.
Biochemistry, 60, 2021
5GIG
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BU of 5gig by Molmil
Crystal Structure of Drosophila melanogaster E47D Dopamine N-Acetyltransferase in Ternary Complex with CoA and Acetyl-dopamine
分子名称: (4S,5S)-1,2-DITHIANE-4,5-DIOL, COENZYME A, Dopamine N-acetyltransferase, ...
著者Yang, Y.C, Wu, C.Y, Cheng, H.C, Lyu, P.C.
登録日2016-06-23
公開日2017-07-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structure of Drosophila melanogaster E47D Dopamine N-Acetyltransferase in Ternary Complex with CoA and Acetyl-dopamine
To Be Published

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件を2025-11-12に公開中

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