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3BUP
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BU of 3bup by Molmil
Golgi alpha-mannosidase II D341N acid-base catalyst mutant with bound mannose
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-mannosidase 2, ...
著者Kuntz, D.A, Rose, D.R.
登録日2008-01-03
公開日2008-07-01
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Probing the substrate specificity of Golgi alpha-mannosidase II by use of synthetic oligosaccharides and a catalytic nucleophile mutant.
J.Am.Chem.Soc., 130, 2008
3BVW
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BU of 3bvw by Molmil
GOLGI MANNOSIDASE II D204A catalytic nucleophile mutant complex with Methyl (2-deoxy-2-acetamido-beta-D-glucopyranosyl)-(1->2)-ALPHA-D-mannopyranosyl- (1->3)-[ALPHA-D-mannopyranosyl-(1->6)-6-thio-alpha-D-mannopyranosyl- (1->6)]-BETA-D-mannopyranoside
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)-6-thio-alpha-D-mannopyranose-(1-6)]methyl beta-D-mannopyranoside, Alpha-mannosidase 2, ...
著者Kuntz, D.A, Rose, D.R.
登録日2008-01-07
公開日2008-07-01
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Probing the substrate specificity of Golgi alpha-mannosidase II by use of synthetic oligosaccharides and a catalytic nucleophile mutant.
J.Am.Chem.Soc., 130, 2008
7REP
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BU of 7rep by Molmil
Crystal structure of an engineered variant of single-chain Penicillin G Acylase from Kluyvera cryocrescens (A1-Ac Rd3CHis)
分子名称: CALCIUM ION, Penicillin G acylase, phenylmethanesulfonic acid
著者Orth, P.
登録日2021-07-13
公開日2021-11-17
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.192 Å)
主引用文献A chemoenzymatic strategy for site-selective functionalization of native peptides and proteins.
Science, 376, 2022
7REO
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BU of 7reo by Molmil
Crystal structure of an engineered variant of single-chain Penicillin G Acylase from Kluyvera cryocrescens (global hydrolysis Rd3CHis)
分子名称: CALCIUM ION, Penicillin G Acylase
著者Orth, P.
登録日2021-07-13
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.812 Å)
主引用文献A chemoenzymatic strategy for site-selective functionalization of native peptides and proteins.
Science, 376, 2022
6XSW
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BU of 6xsw by Molmil
Structure of the Notch3 NRR in complex with an antibody Fab Fragment
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, Anti-N3 Fab Heavy Chain, ...
著者Bard, J.
登録日2020-07-16
公開日2021-07-21
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献NOTCH3-targeted antibody drug conjugates regress tumors by inducing apoptosis in receptor cells and through transendocytosis into ligand cells.
Cell Rep Med, 2, 2021
4XKX
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BU of 4xkx by Molmil
Crystal structure of BACE1 in complex with 2-aminooxazoline 3-azaxanthene inhibitor 28
分子名称: (5S)-7-(2-fluoropyridin-3-yl)-3-(2-fluoropyridin-4-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ...
著者Whittington, D.A, Long, A.M.
登録日2015-01-12
公開日2015-02-04
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Development of 2-aminooxazoline 3-azaxanthenes as orally efficacious beta-secretase inhibitors for the potential treatment of Alzheimer's disease.
Bioorg.Med.Chem.Lett., 25, 2015
6LQD
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BU of 6lqd by Molmil
Structure of Enterovirus 71 in complex with NLD-22
分子名称: 1-(2-azanylpyridin-4-yl)-3-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one, Capsid protein VP1, Capsid protein VP2, ...
著者Zhang, M, Sun, Y, Wang, X, Guo, Y, Rao, Z.
登録日2020-01-13
公開日2020-03-11
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.264 Å)
主引用文献Design, Synthesis, and Evaluation of Novel Enterovirus 71 Inhibitors as Therapeutic Drug Leads for the Treatment of Human Hand, Foot, and Mouth Disease.
J.Med.Chem., 63, 2020
5WYR
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BU of 5wyr by Molmil
Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD from Pseudomonas aeruginosa
分子名称: SINEFUNGIN, tRNA (guanine-N(1)-)-methyltransferase
著者Jaroensuk, J, Liew, C.W, Atichartpongkul, S, Chionh, Y.H, Wong, Y.H, Zhong, W.H, McBee, M.E, Thongdee, N, Prestwich, E.G, DeMott, M.S, Mongkolsuk, S, Dedon, P.C, Lescar, J, Fuangthong, M.
登録日2017-01-15
公開日2017-12-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD fromPseudomonas aeruginosa.
Rna, 2019
6JKI
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BU of 6jki by Molmil
Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD from Pseudomonas aeruginosa
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, MANGANESE (II) ION, ...
著者Jaroensuk, J, Liew, C.W, Atichartpongkul, S, Chionh, Y.H, Wong, Y.H, Zhong, W.H, McBee, M.E, Thongdee, N, Prestwich, E.G, DeMott, M.S, Mongkolsuk, S, Dedon, P.C, Lescar, J, Fuangthong, M.
登録日2019-03-01
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD fromPseudomonas aeruginosa.
Rna, 25, 2019
7EW8
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BU of 7ew8 by Molmil
Legionella pneumophila effector AnkD
分子名称: ANK_REP_REGION domain-containing protein
著者Chen, T.T, Lin, Y.L.
登録日2021-05-24
公開日2022-06-01
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.594 Å)
主引用文献Atypical Legionella GTPase effector hijacks host vesicular transport factor p115 to regulate host lipid droplet.
Sci Adv, 8, 2022
4NWW
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BU of 4nww by Molmil
Crystal structure of an N-terminally truncated capsid protein mutant of Orsay virus
分子名称: CALCIUM ION, Capsid protein
著者Tao, Y.J, Guo, Y.R.
登録日2013-12-06
公開日2014-08-20
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.75 Å)
主引用文献Crystal structure of a nematode-infecting virus.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NWV
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BU of 4nwv by Molmil
Crystal structure of Orsay virus-like particle
分子名称: CALCIUM ION, Capsid protein
著者Tao, Y.J, Guo, Y.R.
登録日2013-12-06
公開日2014-08-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Crystal structure of a nematode-infecting virus.
Proc.Natl.Acad.Sci.USA, 111, 2014
1XRJ
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BU of 1xrj by Molmil
Rapid structure determination of human uridine-cytidine kinase 2 using a conventional laboratory X-ray source and a single samarium derivative
分子名称: ADENOSINE-5'-DIPHOSPHATE, CYTIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ...
著者Appleby, T.C, Larson, G, Wu, J.Z, Cheney, I.W, Hong, Z, Yao, N.
登録日2004-10-14
公開日2005-03-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of human uridine-cytidine kinase 2 determined by SIRAS using a rotating-anode X-ray generator and a single samarium derivative.
Acta Crystallogr.,Sect.D, 61, 2005
6M1H
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BU of 6m1h by Molmil
CryoEM structure of human PAC1 receptor in complex with maxadilan
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Song, X, Wang, J, Zhang, D, Wang, H.W, Ma, Y.
登録日2020-02-26
公開日2020-03-11
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structures of PAC1 receptor reveal ligand binding mechanism.
Cell Res., 30, 2020
6M1I
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BU of 6m1i by Molmil
CryoEM structure of human PAC1 receptor in complex with PACAP38
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Song, X, Wang, J, Zhang, D, Wang, H.W, Ma, Y.
登録日2020-02-26
公開日2020-03-11
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structures of PAC1 receptor reveal ligand binding mechanism.
Cell Res., 30, 2020
8H6T
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BU of 8h6t by Molmil
Complex structure of CDK2/Cyclin E1 and a potent, selective small molecule inhibitor
分子名称: (1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
著者Ren, X.
登録日2022-10-18
公開日2023-02-22
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
8H6P
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BU of 8h6p by Molmil
Complex structure of CDK2/Cyclin E1 and a potent, selective macrocyclic inhibitor
分子名称: (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
著者Ren, X.
登録日2022-10-18
公開日2023-02-22
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
6NIW
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BU of 6niw by Molmil
Crystal structure of P[6] rotavirus
分子名称: DI(HYDROXYETHYL)ETHER, Protease-sensitive outer capsid protein
著者Xu, S, Liu, Y, Lakamp, L, Ahmed, L, Jiang, X, Kennedy, M.A.
登録日2019-01-01
公開日2020-01-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Molecular basis of P[II] major human rotavirus VP8* domain recognition of histo-blood group antigens.
Plos Pathog., 16, 2020
6OAI
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BU of 6oai by Molmil
Crystal structure of P[6] rotavirus vp8* complexed with LNFPI
分子名称: Protease-sensitive outer capsid protein, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Xu, S, Liu, Y, Jiang, X, Kennedy, M.A.
登録日2019-03-16
公開日2020-03-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular basis of P[II] major human rotavirus VP8* domain recognition of histo-blood group antigens.
Plos Pathog., 16, 2020
3DX3
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BU of 3dx3 by Molmil
Golgi alpha-Mannosidase II in complex with Mannostatin analog (1R,2R,3S,4R,5R)-5-aminocyclopentane-1,2,3,4-tetraol
分子名称: (1R,2R,3S,4R,5R)-5-aminocyclopentane-1,2,3,4-tetrol, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuntz, D.A, Rose, D.R.
登録日2008-07-23
公開日2009-07-07
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献The molecular basis of inhibition of Golgi alpha-mannosidase II by mannostatin A.
Chembiochem, 10, 2009
3DX0
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BU of 3dx0 by Molmil
Golgi alpha-Mannosidase II in complex with Mannostatin A at pH 5.75
分子名称: (1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuntz, D.A, Rose, D.R.
登録日2008-07-23
公開日2009-07-07
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The molecular basis of inhibition of Golgi alpha-mannosidase II by mannostatin A.
Chembiochem, 10, 2009
3DX1
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BU of 3dx1 by Molmil
Golgi alpha-Mannosidase II in complex with Mannostatin analog (1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol
分子名称: (1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuntz, D.A, Rose, D.R.
登録日2008-07-23
公開日2009-07-07
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献The molecular basis of inhibition of Golgi alpha-mannosidase II by mannostatin A.
Chembiochem, 10, 2009
3DX4
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BU of 3dx4 by Molmil
Golgi alpha-Mannosidase II in complex with Mannostatin analog (1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-1,2,3-triol
分子名称: (1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-1,2,3-triol, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuntz, D.A, Rose, D.R.
登録日2008-07-23
公開日2009-07-07
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献The molecular basis of inhibition of Golgi alpha-mannosidase II by mannostatin A.
Chembiochem, 10, 2009
7MWN
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BU of 7mwn by Molmil
An engineered PYL2-based WIN 55,212-2 synthetic cannabinoid sensor with a stabilized HAB1 variant
分子名称: ACETATE ION, Abscisic acid receptor PYL2, CHLORIDE ION, ...
著者Peterson, F.C, Beltran, J, Bedewitz, M, Steiner, P.J, Cutler, S.R, Whitehead, T.A.
登録日2021-05-17
公開日2022-06-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Rapid biosensor development using plant hormone receptors as reprogrammable scaffolds.
Nat.Biotechnol., 40, 2022
7XNA
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BU of 7xna by Molmil
Crystal structure of somatostatin receptor 2 (SSTR2) with peptide antagonist CYN 154806
分子名称: CYN 154806, Somatostatin receptor type 2,Endo-1,4-beta-xylanase
著者Zhao, W, Han, S, Qiu, N, Feng, W, Lu, M, Yang, D, Wang, M.-W, Wu, B, Zhao, Q.
登録日2022-04-28
公開日2022-08-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022

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