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5OFG
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BU of 5ofg by Molmil
Cu nitrite reductase serial data at varying temperatures RT 0.06MGy
分子名称: ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ...
著者Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A.
登録日2017-07-11
公開日2018-05-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Enzyme catalysis captured using multiple structures from one crystal at varying temperatures.
IUCrJ, 5, 2018
2ISG
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BU of 2isg by Molmil
Botulinum Neurotoxin A Light Chain WT Crystal Form B
分子名称: NICKEL (II) ION, Neurotoxin BoNT/A, ZINC ION
著者Brunger, A.T, Stegmann, C.M.
登録日2006-10-17
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibition of metalloprotease botulinum serotype A from a pseudo-peptide binding mode to a small molecule that is active in primary neurons.
J.Biol.Chem., 282, 2007
7VNA
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BU of 7vna by Molmil
drosophlia AHR PAS-B domain
分子名称: Ahr homolog spineless
著者Dai, S.Y.
登録日2021-10-10
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.597 Å)
主引用文献Structural insight into the ligand binding mechanism of aryl hydrocarbon receptor.
Nat Commun, 13, 2022
7VNH
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BU of 7vnh by Molmil
drosophlia AHR PAS-B domain bound by the antagonist alpha-naphthoflavone
分子名称: 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE, Ahr homolog spineless
著者Dai, S.Y.
登録日2021-10-11
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.402 Å)
主引用文献Structural insight into the ligand binding mechanism of aryl hydrocarbon receptor.
Nat Commun, 13, 2022
6JVK
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BU of 6jvk by Molmil
Crystal structure of human MTH1 in complex with compound MI1012
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, N4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
著者Peng, C, Li, Y.H, Cheng, Y.S.
登録日2019-04-17
公開日2020-10-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
6JVT
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BU of 6jvt by Molmil
Crystal structure of human MTH1 in complex with compound MI1030
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, N4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine
著者Peng, C, Li, Y.H, Cheng, Y.S.
登録日2019-04-17
公開日2020-10-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
7LWU
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BU of 7lwu by Molmil
UK (B.1.1.7) SARS-CoV-2 spike protein variant (S-GSAS-B.1.1.7) in the 1-RBD-up conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Gobeil, S, Acharya, P.
登録日2021-03-01
公開日2021-03-31
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Effect of natural mutations of SARS-CoV-2 on spike structure, conformation, and antigenicity.
Science, 373, 2021
7LWV
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BU of 7lwv by Molmil
UK (B.1.1.7) SARS-CoV-2 spike protein variant (S-GSAS-B.1.1.7) in the 1-RBD-up conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Gobeil, S, Acharya, P.
登録日2021-03-01
公開日2021-03-31
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Effect of natural mutations of SARS-CoV-2 on spike structure, conformation, and antigenicity.
Science, 373, 2021
7LWQ
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BU of 7lwq by Molmil
Mink Cluster 5-associated SARS-CoV-2 spike protein(S-GSAS-D614G-delFV) missing the S1 subunit and SD2 subdomain of one protomer
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, Spike glycoprotein
著者Gobeil, S, Acharya, P.
登録日2021-03-01
公開日2021-03-31
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Effect of natural mutations of SARS-CoV-2 on spike structure, conformation, and antigenicity.
Science, 373, 2021
7LWL
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BU of 7lwl by Molmil
Mink Cluster 5-associated SARS-CoV-2 spike protein (S-GSAS-D614G-delFV) in the 3-RBD down conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Gobeil, S, Acharya, P.
登録日2021-03-01
公開日2021-03-31
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Effect of natural mutations of SARS-CoV-2 on spike structure, conformation, and antigenicity.
Science, 373, 2021
7LWK
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BU of 7lwk by Molmil
Mink Cluster 5-associated SARS-CoV-2 spike protein (S-GSAS-D614G-delFV) in the 3-RBD down conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Gobeil, S, Acharya, P.
登録日2021-03-01
公開日2021-03-31
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献Effect of natural mutations of SARS-CoV-2 on spike structure, conformation, and antigenicity.
Science, 373, 2021
7LWP
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BU of 7lwp by Molmil
Mink Cluster 5-associated SARS-CoV-2 spike protein (S-GSAS-D614G-delFV) in the 2-RBD up conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Gobeil, S, Acharya, P.
登録日2021-03-01
公開日2021-03-31
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献Effect of natural mutations of SARS-CoV-2 on spike structure, conformation, and antigenicity.
Science, 373, 2021
7LWN
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BU of 7lwn by Molmil
Mink Cluster 5-associated SARS-CoV-2 spike protein (S-GSAS-D614G-delFV) in the 1-RBD up conformation
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, Spike glycoprotein
著者Gobeil, S, Acharya, P.
登録日2021-03-01
公開日2021-03-31
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献Effect of natural mutations of SARS-CoV-2 on spike structure, conformation, and antigenicity.
Science, 373, 2021
6JVJ
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BU of 6jvj by Molmil
Crystal structure of human MTH1 in complex with compound MI1006
分子名称: 5-ethyl-N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine, 7,8-dihydro-8-oxoguanine triphosphatase
著者Peng, C, Li, Y.H, Cheng, Y.S.
登録日2019-04-17
公開日2020-10-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.297 Å)
主引用文献Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
6JVR
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BU of 6jvr by Molmil
Crystal structure of human MTH1 in complex with compound MI1026
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
著者Peng, C, Li, Y.H, Cheng, Y.S.
登録日2019-04-17
公開日2020-10-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.295 Å)
主引用文献Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
2J0T
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BU of 2j0t by Molmil
Crystal Structure of the Catalytic Domain of MMP-1 in Complex with the Inhibitory Domain of TIMP-1
分子名称: CALCIUM ION, INTERSTITIAL COLLAGENASE, METALLOPROTEINASE INHIBITOR 1, ...
著者Iyer, S, Wei, S, Brew, K, Acharya, K.R.
登録日2006-08-04
公開日2006-10-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Crystal Structure of the Catalytic Domain of Matrix Metalloproteinase-1 in Complex with the Inhibitory Domain of Tissue Inhibitor of Metalloproteinase-1.
J.Biol.Chem., 282, 2007
7KCN
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BU of 7kcn by Molmil
Reconstructed ancestor of HIUases and Transthyretins
分子名称: 1,2-ETHANEDIOL, HIUase-TTR ancestor, PHOSPHATE ION
著者Nagem, R.A.P, Bleicher, L, Costa, M.A.F.
登録日2020-10-06
公開日2021-05-19
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Reenacting the Birth of a Function: Functional Divergence of HIUases and Transthyretins as Inferred by Evolutionary and Biophysical Studies.
J.Mol.Evol., 89, 2021
7K0V
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BU of 7k0v by Molmil
Crystal structure of bRaf in complex with inhibitor GNE-0749
分子名称: CHLORIDE ION, N-(3,3-dimethylbutyl)-N'-{2-fluoro-5-[(5-fluoro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-methylphenyl}urea, Non-specific serine/threonine protein kinase
著者Yin, J, Eigenbrot, C.E, Wang, W.
登録日2020-09-06
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3 H )-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor.
J.Med.Chem., 64, 2021
6JVI
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BU of 6jvi by Molmil
Crystal structure of human MTH1 in complex with compound MI0861
分子名称: (4R)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Peng, C, Cheng, Y.S.
登録日2019-04-17
公開日2020-10-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.249 Å)
主引用文献Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
6JVP
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BU of 6jvp by Molmil
Crystal structure of human MTH1 in complex with compound MI1024
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
著者Peng, C, Li, Y.H, Cheng, Y.S.
登録日2019-04-17
公開日2020-10-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.206 Å)
主引用文献Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
1N9R
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BU of 1n9r by Molmil
Crystal structure of a heptameric ring complex of yeast SmF in spacegroup P4122
分子名称: Small nuclear ribonucleoprotein F
著者Collins, B.M, Cubeddu, L, Naidoo, N, Harrop, S.J, Kornfeld, G.D, Dawes, I.W, Curmi, P.M.G, Mabbutt, B.C.
登録日2002-11-26
公開日2002-12-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Homomeric ring assemblies of eukaryotic Sm proteins have affinity for both RNA and DNA: Crystal structure of an oligomeric complex of yeast SmF
J.Biol.Chem., 278, 2003
7KXD
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BU of 7kxd by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL
分子名称: Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 peptide chimera, {3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}methanol
著者Sack, J.
登録日2020-12-03
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.624 Å)
主引用文献Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 35, 2021
2AW3
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BU of 2aw3 by Molmil
X-Ray studies on maltodextrin phosphorylase complexes: recognition of substrates and cathalitic mechanism of phosphorylase family
分子名称: Maltodextrin phosphorylase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION, ...
著者Geremia, S, Campagnolo, M.
登録日2005-08-31
公開日2005-09-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray studies on ternary complexes of maltodextrin phosphorylase.
Arch.Biochem.Biophys., 471, 2008
2AV6
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BU of 2av6 by Molmil
X-Ray studies on maltodextrin phosphorylase complexes: recognition of substrates and cathalitic mechanism of phosphorylase family
分子名称: Maltodextrin phosphorylase, NITRATE ION, PYRIDOXAL-5'-PHOSPHATE, ...
著者Geremia, S, Campagnolo, M.
登録日2005-08-29
公開日2005-09-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献X-ray studies on ternary complexes of maltodextrin phosphorylase.
Arch.Biochem.Biophys., 471, 2008
1PN4
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BU of 1pn4 by Molmil
Crystal structure of 2-enoyl-CoA hydratase 2 domain of Candida tropicalis multifunctional enzyme type 2 complexed with (3R)-hydroxydecanoyl-CoA.
分子名称: 1,2-ETHANEDIOL, 3R-HYDROXYDECANOYL-COENZYME A, Peroxisomal hydratase-dehydrogenase-epimerase
著者Koski, M.K, Haapalainen, A.M, Hiltunen, J.K, Glumoff, T.
登録日2003-06-12
公開日2004-04-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A Two-domain Structure of One Subunit Explains Unique Features of Eukaryotic Hydratase 2.
J.Biol.Chem., 279, 2004

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