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3BT2
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BU of 3bt2 by Molmil
Structure of urokinase receptor, urokinase and vitronectin complex
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, Urokinase plasminogen activator surface receptor, ...
著者Huang, M.
登録日2007-12-27
公開日2008-03-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of two human vitronectin, urokinase and urokinase receptor complexes
Nat.Struct.Mol.Biol., 15, 2008
4ORD
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BU of 4ord by Molmil
Crystal Structure of Zebra Fish Thioesterase Superfamily Member 2
分子名称: Thioesterase Superfamily Member 2
著者Yu, S.S, Li, H, Gao, F, Xu, H, Gong, W.M.
登録日2014-02-11
公開日2015-02-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure and Potential Physiological Role of Zebra Fish Thioesterase Superfamily Member 2 (fTHEM2)
To be Published
8K1C
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BU of 8k1c by Molmil
Structural insight into the role of acetyl-CoA acetyltransferase from Fusobacterium nucleatum
分子名称: Acetyl-CoA acetyltransferase
著者He, S.R, Bai, X, Zhang, J, Zhao, Z.D.
登録日2023-07-10
公開日2023-08-02
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.894 Å)
主引用文献Structural insight into the role of acetyl-CoA acetyltransferase from Fusobacterium nucleatum
To Be Published
8K1F
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BU of 8k1f by Molmil
Crystal Structure of TrmR from Fusobacterium nucleatum
分子名称: tRNA 5-hydroxyuridine methyltransferase
著者He, S.R, Bai, X, Zhang, J, Zhao, Z.D.
登録日2023-07-10
公開日2023-08-02
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of TrmR from Fusobacterium nucleatum
To Be Published
7XGY
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BU of 7xgy by Molmil
cryo-EM structure of hemoglobin
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
著者Liu, N, Wang, H.W.
登録日2022-04-07
公開日2022-11-09
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Uniform thin ice on ultraflat graphene for high-resolution cryo-EM.
Nat.Methods, 20, 2023
4QVC
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BU of 4qvc by Molmil
E.coli Hfq in complex with RNA Aus
分子名称: RNA (5'-R(*AP*U*AP*AP*CP*UP*A)-3'), RNA-binding protein Hfq
著者Wang, L.J, Wang, W.W, Li, F.D, Wu, J.H, Gong, Q.G, Shi, Y.Y.
登録日2014-07-14
公開日2015-05-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural insights into the recognition of the internal A-rich linker from OxyS sRNA by Escherichia coli Hfq
Nucleic Acids Res., 43, 2015
7V18
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BU of 7v18 by Molmil
Factor XIa in Complex with Compound 3f
分子名称: 2-[(1~{R})-3-[bis(fluoranyl)methoxy]-1-[4-(3-methyl-1,2,3-triazol-4-yl)pyrazol-1-yl]propyl]-5-[3-chloranyl-6-(4-chloranyl-1,2,3-triazol-1-yl)-2-fluoranyl-phenyl]-1-oxidanyl-pyridine, CITRIC ACID, Coagulation factor XIa light chain
著者Shaffer, P.L, Milligan, C.M.
登録日2022-05-11
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.732 Å)
主引用文献Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
7V14
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BU of 7v14 by Molmil
Factor XIa in Complex with Compound 2h
分子名称: 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-1,3-thiazole, CITRIC ACID, Coagulation factor XIa light chain
著者Shaffer, P.L, Cedervall, P, Milligan, C.M.
登録日2022-05-11
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.697 Å)
主引用文献Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
7V13
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BU of 7v13 by Molmil
Factor XIa in Complex with Compound 2g
分子名称: 3-chloranyl-4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-5-fluoranyl-pyridine, CITRIC ACID, Coagulation factor XIa light chain
著者Shaffer, P.L, Milligan, C.M, Cedervall, P.
登録日2022-05-11
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.589 Å)
主引用文献Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
7V17
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BU of 7v17 by Molmil
Factor XIa in Complex with Compound 2k
分子名称: 5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-2-[(1~{R})-2-cyclopropyl-1-[4-(3-methylimidazol-4-yl)pyrazol-1-yl]ethyl]-1-oxidanyl-pyridine, CITRIC ACID, Coagulation factor XIa light chain
著者Shaffer, P.L, Milligan, C.M, Cedervall, P.
登録日2022-05-11
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.522 Å)
主引用文献Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
7V12
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BU of 7v12 by Molmil
Factor XIa in Complex with Compound 2f
分子名称: 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-fluoranyl-pyridin-2-amine, CITRIC ACID, Coagulation factor XIa light chain
著者Shaffer, P.L, Spurlino, J, Milligan, C.M.
登録日2022-05-11
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.631 Å)
主引用文献Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
7V0Z
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BU of 7v0z by Molmil
Factor XIa in Complex with Compound 2a
分子名称: Coagulation factor XIa light chain, methyl ~{N}-[4-[1-[(1~{R})-1-[5-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate
著者Shaffer, P.L, Spurlino, J, Milligan, C.M.
登録日2022-05-11
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
7V11
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BU of 7v11 by Molmil
Factor XIa in Complex with Compound 2e
分子名称: 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-methyl-pyridin-2-amine, CITRIC ACID, Coagulation factor XIa light chain
著者Shaffer, P.L, Milligan, C.M.
登録日2022-05-11
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.472 Å)
主引用文献Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
7V16
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BU of 7v16 by Molmil
Factor XIa in Complex with Compound 2j
分子名称: 5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-2-[(1~{R})-2-cyclopropyl-1-[4-(2-methylpyrazol-3-yl)pyrazol-1-yl]ethyl]-1-oxidanyl-pyridine, CITRIC ACID, Coagulation factor XIa light chain
著者Shaffer, P.L, Milligan, C.M.
登録日2022-05-11
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.505 Å)
主引用文献Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
7V15
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BU of 7v15 by Molmil
Factor XIa in Complex with Compound 2i
分子名称: 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-4-methyl-1,3-thiazole, CITRIC ACID, Coagulation factor XIa light chain
著者Shaffer, P.L, Cedervall, P, Milligan, C.M.
登録日2022-05-11
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.679 Å)
主引用文献Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
7V10
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BU of 7v10 by Molmil
Factor XIa in Complex with Compound 2d
分子名称: CITRIC ACID, Coagulation factor XIa light chain, methyl ~{N}-[4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate
著者Shaffer, P.L, Spurlino, J, Milligan, C.M.
登録日2022-05-11
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
1K8A
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BU of 1k8a by Molmil
Co-crystal structure of Carbomycin A bound to the 50S ribosomal subunit of Haloarcula marismortui
分子名称: 23S RRNA, 5S RRNA, CADMIUM ION, ...
著者Hansen, J.L, Ippolito, J.A, Ban, N, Nissen, P, Moore, P.B, Steitz, T.
登録日2001-10-23
公開日2002-07-19
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The structures of four macrolide antibiotics bound to the large ribosomal subunit.
Mol.Cell, 10, 2002
7XGW
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BU of 7xgw by Molmil
Apo structure of LW domain from Trypanosoma brucei
分子名称: Transcription elongation factor s-II
著者Liao, S, Gao, J, Chen, M, Tu, X.
登録日2022-04-06
公開日2023-05-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis for evolutionarily conserved interactions between TFIIS and Paf1C.
Int.J.Biol.Macromol., 253, 2023
4RSE
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BU of 4rse by Molmil
Crystal structure of RPE65 in complex with MB-001 and palmitate
分子名称: (1R)-3-amino-1-{3-[(2,6,6-trimethylcyclohex-1-en-1-yl)methoxy]phenyl}propan-1-ol, FE (II) ION, PALMITIC ACID, ...
著者Kiser, P.D, Shi, W, Palczewski, K.
登録日2014-11-07
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Catalytic mechanism of a retinoid isomerase essential for vertebrate vision.
Nat.Chem.Biol., 11, 2015
7FBD
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BU of 7fbd by Molmil
De novo design protein D53 with MBP tag
分子名称: Maltodextrin-binding protein,De novo design protein D53
著者Bin, H.
登録日2021-07-09
公開日2021-12-22
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
7FBB
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BU of 7fbb by Molmil
De novo design protein D12 with MBP tag
分子名称: Maltodextrin-binding protein,de novo designed protein D12
著者Bin, H.
登録日2021-07-09
公開日2021-12-22
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.307 Å)
主引用文献A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
7FBC
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BU of 7fbc by Molmil
De novo design protein D22 with MBP tag
分子名称: Maltodextrin-binding protein,De novo design protein D22
著者Bin, H.
登録日2021-07-09
公開日2021-12-22
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
7YIM
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BU of 7yim by Molmil
Cryo-EM structure of human Alpha-fetoprotein
分子名称: Alpha-fetoprotein
著者Liu, N, Liu, K, Wu, C, Liu, Z, Li, M, Wang, J, Wang, H.W.
登録日2022-07-17
公開日2023-01-18
最終更新日2023-01-25
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Uniform thin ice on ultraflat graphene for high-resolution cryo-EM.
Nat.Methods, 20, 2023
4RSC
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BU of 4rsc by Molmil
Crystal structure of RPE65 in complex with emixustat and palmitate
分子名称: (1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol, FE (II) ION, PALMITIC ACID, ...
著者Kiser, P.D, Shi, W, Palczewski, K.
登録日2014-11-07
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Catalytic mechanism of a retinoid isomerase essential for vertebrate vision.
Nat.Chem.Biol., 11, 2015
4OU5
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BU of 4ou5 by Molmil
Crystal structure of esterase rPPE mutant S159A/W187H
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha/beta hydrolase fold-3 domain protein, DI(HYDROXYETHYL)ETHER
著者Dou, S, Kong, X.D, Ma, B.D, Xu, J.H, Zhou, J.H.
登録日2014-02-15
公開日2014-07-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Crystal structures of Pseudomonas putida esterase reveal the functional role of residues 187 and 287 in substrate binding and chiral recognition
Biochem.Biophys.Res.Commun., 446, 2014

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