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5V02
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BU of 5v02 by Molmil
A positive allosteric modulator binding pocket in SK2 ion channels is shared by Riluzole and CyPPA
分子名称: 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine, CALCIUM ION, Calmodulin-1, ...
著者Liu, S.
登録日2017-02-28
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献An Intracellular Allosteric Modulator Binding Pocket in SK2 Ion Channels Is Shared by Multiple Chemotypes.
Structure, 26, 2018
4Z9C
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BU of 4z9c by Molmil
EcPltAB Oxidized
分子名称: PHOSPHATE ION, Pertussis toxin-like subunit ArtA, Subtilase cytotoxin subunit B-like protein
著者Littler, D.R, Johnson, M.D, Summers, R.J, Schembri, M.A, Rossjohn, J, Beddoe, T.
登録日2015-04-10
公開日2016-10-12
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure and function analyses of a pertussis-like toxin from pathogenic Escherichia coli reveal a distinct mechanism of inhibition of trimeric G proteins.
J. Biol. Chem., 2017
7P1N
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BU of 7p1n by Molmil
Crystal structure of human acetylcholinesterase in complex with (2R,3R,4S,5S,6R)-2-{4-[1-(4-{5-hydroxy-6-[(E)-(hydroxyimino)methyl]pyridin-2-yl}butyl)-1H-1,2,3-triazol-4-yl]butoxy}-6-(hydroxymethyl)oxane-3,4,5-triol oxime
分子名称: (2R,3R,4S,5S,6R)-2-[4-[1-[4-[6-[(Z)-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]butyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
著者Da Silva, O, Dias, J, Nachon, F.
登録日2021-07-02
公開日2022-06-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献A New Class of Bi- and Trifunctional Sugar Oximes as Antidotes against Organophosphorus Poisoning.
J.Med.Chem., 65, 2022
4ZA2
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BU of 4za2 by Molmil
Crystal structure of Pectobacterium carotovorum 2-keto-3-deoxy-D-gluconate dehydrogenase complexed with NAD+
分子名称: 2-deoxy-D-gluconate 3-dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Takase, R, Maruyama, Y, Oiki, S, Mikami, B, Murata, K, Hashimoto, W.
登録日2015-04-13
公開日2015-04-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural determinants in bacterial 2-keto-3-deoxy-D-gluconate dehydrogenase KduD for dual-coenzyme specificity
Proteins, 84, 2016
6MV1
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BU of 6mv1 by Molmil
2.15A resolution structure of the CS-b5R domains of human Ncb5or (NAD+ form)
分子名称: Cytochrome b5 reductase 4, FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Lovell, S, Mehzabeen, N, Battaile, K.P, Benson, D.R, Cooper, A, Gao, P, Zhu, H.
登録日2018-10-24
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structures of the naturally fused CS and cytochrome b5reductase (b5R) domains of Ncb5or reveal an expanded CS fold, extensive CS-b5R interactions and productive binding of the NAD(P)+nicotinamide ring.
Acta Crystallogr D Struct Biol, 75, 2019
6V1U
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BU of 6v1u by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to TP-472
分子名称: 1,2-ETHANEDIOL, 3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-N-cyclopropyl-4-methylbenzamide, Bromodomain-containing protein 4
著者Chan, A, Karim, M.R, Schonbrunn, E.
登録日2019-11-21
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
5O3M
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BU of 5o3m by Molmil
Crystal structure of apo Klebsiella pneumoniae 3,4-dihydroxybenzoic acid decarboxylase (AroY)
分子名称: Protocatechuate decarboxylase, pentane-1,5-diol
著者Marshall, S.A, Leys, D.
登録日2017-05-24
公開日2017-09-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Regioselective para-Carboxylation of Catechols with a Prenylated Flavin Dependent Decarboxylase.
Angew. Chem. Int. Ed. Engl., 56, 2017
6JD5
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BU of 6jd5 by Molmil
ATPase
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ESX conserved component EccC2. ESX-2 type VII secretion system protein. Possible membrane protein, MAGNESIUM ION
著者Wang, S.H, Li, J, Rao, Z.H.
登録日2019-01-31
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into substrate recognition by the type VII secretion system.
Protein Cell, 11, 2020
3EHT
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BU of 3eht by Molmil
Crystal structure of the extracellular domain of human corticotropin releasing factor receptor type 1 (CRFR1) in complex with CRF
分子名称: Corticoliberin, FUSION PROTEIN OF CRFR1 EXTRACELLULAR DOMAIN AND MBP, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Pioszak, A.A, Xu, H.E.
登録日2008-09-14
公開日2008-09-30
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Molecular Recognition of Corticotropin-releasing Factor by Its G-protein-coupled Receptor CRFR1.
J.Biol.Chem., 283, 2008
5Y45
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BU of 5y45 by Molmil
Crystal structure of a collagen-like peptide with interruption sequence
分子名称: collagen-like peptide
著者Xu, T, Liu, J.
登録日2017-08-01
公開日2018-05-30
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Unique Conformation in a Natural Interruption Sequence of Type XIX Collagen Revealed by Its High-Resolution Crystal Structure.
Biochemistry, 57, 2018
5O5S
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BU of 5o5s by Molmil
X-ray crystal structure of the RapZ C-terminal domain from Escherichia coli
分子名称: MALONATE ION, RNase adapter protein RapZ
著者Gonzalez, G.M, Durica-Mitic, S, Hardwick, S.W, Moncrieffe, M, Resch, M, Neumann, P, Ficner, R, Gorke, B, Luisi, B.F.
登録日2017-06-02
公開日2017-08-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Structural insights into RapZ-mediated regulation of bacterial amino-sugar metabolism.
Nucleic Acids Res., 45, 2017
6URN
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BU of 6urn by Molmil
Barrier-to-autointegration factor t-butanol: 1 of 14 in MSCS set
分子名称: Barrier-to-autointegration factor, ETHANOL
著者Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
登録日2019-10-23
公開日2020-10-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
4ZA3
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BU of 4za3 by Molmil
Structural studies on a non-toxic homologue of type II RIPs from Momordica charantia (bitter gourd)-Native-3
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Chandran, T, Sharma, A, Vijayan, M.
登録日2015-04-13
公開日2016-03-23
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structural studies on a non-toxic homologue of type II RIPs from bitter gourd: Molecular basis of non-toxicity, conformational selection and glycan structure.
J.Biosci., 40, 2015
6US0
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BU of 6us0 by Molmil
Barrier-to-autointegration factor soaked in R,S,R-bisfuranol (RSR): 1 of 14 in MSCS set
分子名称: Barrier-to-autointegration factor, ETHANOL
著者Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
登録日2019-10-24
公開日2020-10-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.653 Å)
主引用文献Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6SMK
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BU of 6smk by Molmil
Crystal structure of catalytic domain A109H mutant of prophage-encoded M23 protein EnpA from Enterococcus faecalis.
分子名称: Peptidase_M23 domain-containing protein, ZINC ION
著者Malecki, P.H, Mitkowski, P, Czapinska, H, Sabala, I.
登録日2019-08-22
公開日2020-09-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.997 Å)
主引用文献Structural Characterization of EnpA D,L-Endopeptidase from Enterococcus faecalis Prophage Provides Insights into Substrate Specificity of M23 Peptidases.
Int J Mol Sci, 22, 2021
8ESE
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BU of 8ese by Molmil
Crystal structure of human Vps29 bound to a peptide from Vps35L
分子名称: VPS35 endosomal protein-sorting factor-like, Vacuolar protein sorting-associated protein 29
著者Healy, M.D, Collins, B.M.
登録日2022-10-13
公開日2023-05-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure of the endosomal Commander complex linked to Ritscher-Schinzel syndrome.
Cell, 186, 2023
6MI4
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BU of 6mi4 by Molmil
Structure of the I65M mutant of NEMO(51-112) with N- and C-terminal coiled-coil adaptors.
分子名称: NF-kB ESSENTIAL MODULATOR
著者Pellegrini, M, Barczewski, A.H, Mierke, D.F, Ragusa, M.J.
登録日2018-09-19
公開日2019-08-07
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.50009418 Å)
主引用文献The IKK-binding domain of NEMO is an irregular coiled coil with a dynamic binding interface.
Sci Rep, 9, 2019
5J0D
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BU of 5j0d by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with a benzoxazepine compound
分子名称: 1,2-ETHANEDIOL, 7-(3,5-dimethoxyphenyl)-N-[(3S)-1-methylpiperidin-3-yl]-4-propanoyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide, CREB-binding protein
著者Tallant, C, Popp, T.A, Fedorov, O, Siejka, P, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bracher, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-03-28
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Development of Selective CBP/P300 Benzoxazepine Bromodomain Inhibitors.
J.Med.Chem., 59, 2016
4ZC3
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BU of 4zc3 by Molmil
DNA binding domain of small terminase SF6 phage
分子名称: Terminase small subunit
著者Antson, A.A, Chechik, M, Jenkins, H.T, Greive, S.J.
登録日2015-04-15
公開日2015-12-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献DNA recognition for virus assembly through multiple sequence-independent interactions with a helix-turn-helix motif.
Nucleic Acids Res., 44, 2016
7AY0
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BU of 7ay0 by Molmil
Crystal structure of truncated USP1-UAF1
分子名称: Ubiquitin carboxyl-terminal hydrolase 1, WD repeat-containing protein 48, ZINC ION
著者Arkinson, C, Rennie, M.L, Walden, H.
登録日2020-11-10
公開日2021-03-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structural basis of FANCD2 deubiquitination by USP1-UAF1.
Nat.Struct.Mol.Biol., 28, 2021
2ZXW
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BU of 2zxw by Molmil
Bovine heart cytochrome c oxidase at the fully oxidized state (1-s X-ray exposure dataset)
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Aoyama, H, Muramoto, K, Shinzawa-Itoh, K, Hirata, K, Yamashita, E, Tsukihara, T, Ogura, T, Yoshikawa, S.
登録日2009-01-08
公開日2009-02-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A peroxide bridge between Fe and Cu ions in the O2 reduction site of fully oxidized cytochrome c oxidase could suppress the proton pump
Proc.Natl.Acad.Sci.USA, 106, 2009
5JA9
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BU of 5ja9 by Molmil
Crystal structure of the HigB2 toxin in complex with Nb6
分子名称: 1,2-ETHANEDIOL, Nanobody 6, SULFATE ION, ...
著者Hadzi, S, Loris, R.
登録日2016-04-12
公開日2017-04-05
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献Ribosome-dependent Vibrio cholerae mRNAse HigB2 is regulated by a beta-strand sliding mechanism.
Nucleic Acids Res., 45, 2017
6IXJ
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BU of 6ixj by Molmil
The crystal structure of sulfoacetaldehyde reductase from Klebsiella oxytoca
分子名称: 2-hydroxyethylsulfonic acid, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Sulfoacetaldehyde reductase
著者Zhou, Y, Xu, T, Lin, L, Zhang, Y, Yuchi, Z.
登録日2018-12-10
公開日2019-02-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Biochemical and structural investigation of sulfoacetaldehyde reductase fromKlebsiella oxytoca.
Biochem. J., 476, 2019
4FVG
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BU of 4fvg by Molmil
SPFH domain of mouse stomatin (Crystal form 3)
分子名称: CADMIUM ION, Stomatin
著者Brand, J, Schwefel, D, Daumke, O.
登録日2012-06-29
公開日2012-08-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A stomatin dimer modulates the activity of acid-sensing ion channels.
Embo J., 31, 2012
7AY2
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Crystal structure of truncated USP1-UAF1 reacted with ubiquitin-prg
分子名称: Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 1, WD repeat-containing protein 48, ...
著者Arkinson, C, Rennie, M.L, Walden, H.
登録日2020-11-10
公開日2021-03-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis of FANCD2 deubiquitination by USP1-UAF1.
Nat.Struct.Mol.Biol., 28, 2021

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