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6B5X
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BU of 6b5x by Molmil
Beta-Lactamase, unmixed shards crystal form
分子名称: Beta-lactamase, PHOSPHATE ION
著者Pandey, S.
登録日2017-09-29
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6F
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BU of 6b6f by Molmil
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 2sec
分子名称: Beta-lactamase, Ceftriaxone
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6BXB
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BU of 6bxb by Molmil
Crystal structure of an extended b3 integrin P33
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Chimera protein of Integrin beta-3 and Integrin alpha-L, ...
著者Zhou, D, Zhu, J.
登録日2017-12-18
公開日2018-08-01
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structure of an extended beta3integrin.
Blood, 132, 2018
6CKB
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BU of 6ckb by Molmil
Crystal structure of an extended beta3 integrin P33
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Chimera protein of Integrin beta-3 and Integrin alpha-L, ...
著者Zhou, D, Zhu, J.
登録日2018-02-27
公開日2018-08-01
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of an extended beta3integrin.
Blood, 132, 2018
6Z2M
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BU of 6z2m by Molmil
H11-D4, SARS-CoV-2 RBD, CR3022 ternary complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CR3022 antibody, Spike glycoprotein, ...
著者Naismith, J.H, Ren, J, Zhou, D, Zhao, Y, Stuart, D.I.
登録日2020-05-17
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structural characterisation of a nanobody derived from a naive library that neutralises SARS-CoV-2
To Be Published
6BXF
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BU of 6bxf by Molmil
Crystal structure of an extended b3 integrin L33
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Chimera protein of Integrin beta-3 and Integrin alpha-L, ...
著者Zhou, D, Zhu, J.
登録日2017-12-18
公開日2018-08-01
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure of an extended beta3integrin.
Blood, 132, 2018
6CN5
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BU of 6cn5 by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA LIGAND- BINDING DOMAIN IN COMPLEX WITH INDOLE LIGAND CP9b IN INVERSE AGONIST CONFORMATION
分子名称: 4-cyano-N-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1H-indol-5-yl}pyridine-2-carboxamide, Nuclear receptor ROR-gamma
著者Kauppi, B, Vajdos, F.
登録日2018-03-07
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
6CFD
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BU of 6cfd by Molmil
ADEP4 bound to E. faecium ClpP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ATP-dependent Clp protease proteolytic subunit, N-[(6aS,12S,15aS,17R,21R,23aS)-17,21-dimethyl-6,11,15,20,23-pentaoxooctadecahydro-2H,6H,11H,15H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13]oxatetraazacyclohexadecin-12-yl]-3,5-difluoro-Nalpha-[(2E)-hept-2-enoyl]-L-phenylalaninamide
著者Lee, R.E, Griffith, E.C.
登録日2018-02-14
公開日2018-05-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献In VivoandIn VitroEffects of a ClpP-Activating Antibiotic against Vancomycin-Resistant Enterococci.
Antimicrob. Agents Chemother., 62, 2018
6CN6
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BU of 6cn6 by Molmil
RORC2 LBD complexed with compound 34
分子名称: 3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide, Nuclear receptor ROR-gamma
著者Kauppi, B, Vajdos, F.
登録日2018-03-07
公開日2018-09-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
5Z1V
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BU of 5z1v by Molmil
Crystal structure of AvrPib
分子名称: AvrPib protein
著者Zhang, X, He, D, Zhao, Y.X, Taylor, I.A, Peng, Y.L, Yang, J, Liu, J.F.
登録日2017-12-28
公開日2018-09-05
最終更新日2018-10-03
実験手法X-RAY DIFFRACTION (1.661 Å)
主引用文献A positive-charged patch and stabilized hydrophobic core are essential for avirulence function of AvrPib in the rice blast fungus.
Plant J., 96, 2018
8T6V
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BU of 8t6v by Molmil
Cryo-EM structure of human Anion Exchanger 1 bound to 4,4'-Diisothiocyanatostilbene-2,2'-Disulfonic Acid (DIDS)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4,4'-Diisothiocyano-2,2'-stilbenedisulfonic acid, ...
著者Capper, M.J, Zilberg, G, Mathiharan, Y.K, Yang, S, Stone, A.C, Wacker, D.
登録日2023-06-18
公開日2023-09-13
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Substrate binding and inhibition of the anion exchanger 1 transporter.
Nat.Struct.Mol.Biol., 30, 2023
8T6U
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BU of 8t6u by Molmil
Cryo-EM structure of human Anion Exchanger 1 bound to Dipyridamole
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Capper, M.J, Zilberg, G, Mathiharan, Y.K, Yang, S, Stone, A.C, Wacker, D.
登録日2023-06-18
公開日2023-09-13
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (3.13 Å)
主引用文献Substrate binding and inhibition of the anion exchanger 1 transporter.
Nat.Struct.Mol.Biol., 30, 2023
7VP8
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BU of 7vp8 by Molmil
Crystal structure of ferritin from Ureaplasma urealyticum
分子名称: CHLORIDE ION, FE (III) ION, Ferritin-like diiron domain-containing protein
著者Wang, W, Liu, X, Wang, Y, Fu, D, Wang, H.
登録日2021-10-15
公開日2022-08-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Distinct structural characteristics define a new subfamily of Mycoplasma ferritin
Chin.Chem.Lett., 33, 2022
6M7L
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BU of 6m7l by Molmil
Complex of OxyA with the X-domain from GPA biosynthesis
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 hydroxylase, Putative non-ribosomal peptide synthetase
著者Greule, A, Izore, T, Tailhades, J, Peschke, M, Schoppet, M, Ahmed, I, Kulik, A, Adamek, M, Ziemert, N, De Voss, J, Stegmann, E, Cryle, M.J.
登録日2018-08-20
公開日2019-05-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.648297 Å)
主引用文献Kistamicin biosynthesis reveals the biosynthetic requirements for production of highly crosslinked glycopeptide antibiotics.
Nat Commun, 10, 2019
8UKZ
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BU of 8ukz by Molmil
Structure of P450Blt from Micromonospora sp. MW-13 with E238A Mutation
分子名称: ACETATE ION, Cytochrome P450-SU1, DI(HYDROXYETHYL)ETHER, ...
著者Hansen, M.H, Cryle, M.J.
登録日2023-10-15
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis
Acs Catalysis, 2024
8U2M
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BU of 8u2m by Molmil
Structure of P450Blt from Micromonospora sp. MW-13 in Complex with Biarylitide
分子名称: 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ACETATE ION, Cytochrome P450-SU1, ...
著者Hansen, M.H, Cryle, M.J.
登録日2023-09-06
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis
Acs Catalysis, 2024
5YL2
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BU of 5yl2 by Molmil
Crystal structure of T2R-TTL-Y28 complex
分子名称: (E)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-en-1-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Yang, J.H, Yang, T, Wen, J.L, Chen, L.J.
登録日2017-10-16
公開日2018-04-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin.
J. Biol. Chem., 2018
6NJS
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BU of 6njs by Molmil
Stat3 Core in complex with compound SD36
分子名称: Signal transducer and activator of transcription 3, [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name)
著者Meagher, J.L, Stuckey, J.A.
登録日2019-01-04
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo.
Cancer Cell, 36, 2019
8WWO
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BU of 8wwo by Molmil
Crystal structure of the AFSV topoisomerase ATPase domain in complex with AMPPNP
分子名称: DNA topoisomerase 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Kuang, W, Deng, Z.
登録日2023-10-26
公開日2024-02-21
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-function analysis of the ATPase domain of African swine fever virus topoisomerase.
Mbio, 15, 2024
6NUQ
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BU of 6nuq by Molmil
Stat3 Core in complex with compound SI109
分子名称: Signal transducer and activator of transcription 3, [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name)
著者Meagher, J.L, Stuckey, J.A.
登録日2019-02-01
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo.
Cancer Cell, 36, 2019
8H7Z
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BU of 8h7z by Molmil
Cryo-EM structure of SARS-CoV-2 BA.2 RBD in complex with BA7535 fab (local refinement)
分子名称: BA7535 fab, Spike glycoprotein
著者Liu, Z, Yan, A, Gao, Y.
登録日2022-10-21
公開日2023-08-30
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Identification of a highly conserved neutralizing epitope within the RBD region of diverse SARS-CoV-2 variants.
Nat Commun, 15, 2024
8H7L
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BU of 8h7l by Molmil
Cryo-EM Structure of SARS-CoV-2 BA.2 Spike protein in complex with BA7535
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7535 fab heavt chain, ...
著者Liu, Z, Yan, A, Gao, Y.
登録日2022-10-20
公開日2023-08-30
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (2.44 Å)
主引用文献Identification of a highly conserved neutralizing epitope within the RBD region of diverse SARS-CoV-2 variants.
Nat Commun, 15, 2024
3WGW
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BU of 3wgw by Molmil
Structure of PCNA bound to a small molecule inhibitor
分子名称: 4-{4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy}phenol, Proliferating cell nuclear antigen, SULFATE ION
著者Hashimoto, H.
登録日2013-08-12
公開日2014-02-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A small molecule inhibitor of monoubiquitinated Proliferating Cell Nuclear Antigen (PCNA) inhibits repair of interstrand DNA cross-link, enhances DNA double strand break, and sensitizes cancer cells to cisplatin.
J.Biol.Chem., 289, 2014
3WDO
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BU of 3wdo by Molmil
Structure of E. coli YajR transporter
分子名称: MFS Transporter
著者Jiang, D.
登録日2013-06-19
公開日2013-08-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structure of the YajR transporter suggests a transport mechanism based on the conserved motif A
Proc.Natl.Acad.Sci.USA, 110, 2013
3BNX
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BU of 3bnx by Molmil
Crystal structure of Aristolochene synthase complexed with farnesyl diphosphate
分子名称: Aristolochene synthase, BETA-MERCAPTOETHANOL, FARNESYL DIPHOSPHATE, ...
著者Shishova, E.Y, Christianson, D.W.
登録日2007-12-14
公開日2008-03-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献X-ray Crystallographic Studies of Substrate Binding to Aristolochene Synthase Suggest a Metal Ion Binding Sequence for Catalysis
J.Biol.Chem., 283, 2008

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