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7V3S
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BU of 7v3s by Molmil
Crystal structure of CMET in complex with a novel inhibitor
分子名称: Hepatocyte growth factor receptor, ~{N}1'-[3-fluoranyl-4-(10~{H}-pyrido[3,2-b][1,4]benzoxazin-4-yloxy)phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
著者Su, H.X, Liu, Q.F, Chen, T.T, Li, M.J, Xu, Y.C.
登録日2021-08-11
公開日2022-08-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of 10H-Benzo[b]pyrido[2,3-e][1,4]oxazine AXL Inhibitors via Structure-Based Drug Design Targeting c-Met Kinase
J.Med.Chem., 66, 2023
8H41
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BU of 8h41 by Molmil
Crystal structure of a decarboxylase from Trichosporon moniliiforme in complex with o-nitrophenol
分子名称: MAGNESIUM ION, O-NITROPHENOL, Salicylate decarboxylase
著者Gao, J, Zhao, Y.P, Li, Q, Liu, W.D, Sheng, X.
登録日2022-10-09
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献A Combined Computational-Experimental Study on the Substrate Binding and Reaction Mechanism of Salicylic Acid Decarboxylase
Catalysts, 12, 2022
7VS2
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BU of 7vs2 by Molmil
secreted fungal effector protein MoErs1
分子名称: MoErs1
著者Wang, F.F, Xing, W.M.
登録日2021-10-25
公開日2023-08-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Targeting Magnaporthe oryzae effector MoErs1 and host papain-like protease OsRD21 interaction to combat rice blast.
Nat.Plants, 2024
7W1S
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BU of 7w1s by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with neutralizing nanobody Nb-007
分子名称: Nanobody Nb-007, Spike protein S1
著者Yang, J, Lin, S, Sun, H.L, Lu, G.W.
登録日2021-11-20
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献A Potent Neutralizing Nanobody Targeting the Spike Receptor-Binding Domain of SARS-CoV-2 and the Structural Basis of Its Intimate Binding.
Front Immunol, 13, 2022
7XS0
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BU of 7xs0 by Molmil
Trimer structure of HtrA from Helicobacter pylori bound with a tripeptide
分子名称: Periplasmic serine endoprotease DegP-like, UNK-UNK-UNK
著者Cui, L, Liu, W.
登録日2022-05-12
公開日2023-05-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal structures and solution conformations of HtrA from Helicobacter pylori reveal pH-dependent oligomeric conversion and conformational rearrangements.
Int.J.Biol.Macromol., 243, 2023
7XS2
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BU of 7xs2 by Molmil
Monomer structure of HtrA from Helicobacter pylori
分子名称: Periplasmic serine endoprotease DegP-like
著者Cui, L, Liu, W.
登録日2022-05-12
公開日2023-05-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structures and solution conformations of HtrA from Helicobacter pylori reveal pH-dependent oligomeric conversion and conformational rearrangements.
Int.J.Biol.Macromol., 243, 2023
8I8F
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BU of 8i8f by Molmil
Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed compound 1
分子名称: (2R,4S)-5,5-dimethyl-2-[(1R)-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid, Metallo beta lactamase NDM-1, ZINC ION
著者Shi, X, Liu, W.
登録日2023-02-04
公開日2024-02-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design.
Int.J.Biol.Macromol., 262, 2024
6AIT
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BU of 6ait by Molmil
Crystal structure of E. coli BepA
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-barrel assembly-enhancing protease, ZINC ION
著者Umar, M.S.M, Tanaka, Y, Kamikubo, H, Tsukazaki, T.
登録日2018-08-24
公開日2018-12-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.598 Å)
主引用文献Structural Basis for the Function of the beta-Barrel Assembly-Enhancing Protease BepA.
J. Mol. Biol., 431, 2019
1R1X
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BU of 1r1x by Molmil
Crystal structure of oxy-human hemoglobin Bassett at 2.15 angstrom
分子名称: CARBON MONOXIDE, Hemoglobin alpha chain, Hemoglobin beta chain, ...
著者Abdulmalik, O, Safo, M.K, Lerner, N.B, Ochotorena, J, Dhaikin, Y, Abraham, D.J, Asakura, T.
登録日2003-09-25
公開日2003-10-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Characterization of hemoglobin bassett (alpha94Asp-->Ala), a variant with very low oxygen affinity
Am.J.Hematol., 77, 2004
1R1Y
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BU of 1r1y by Molmil
Crystal structure of deoxy-human hemoglobin Bassett at 1.8 angstrom
分子名称: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Abdulmalik, O, Safo, M.K, Lerner, N.B, Ochotorena, J, Dhaikin, Y, Abraham, D.J, Asakura, T.
登録日2003-09-25
公開日2003-10-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Characterization of hemoglobin bassett (alpha94Asp-->Ala), a variant with very low oxygen affinity
Am.J.Hematol., 77, 2004
7YAG
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BU of 7yag by Molmil
CryoEM structure of SPCA1a in E1-Ca-AMPPCP state subclass 1
分子名称: CALCIUM ION, Calcium-transporting ATPase type 2C member 1, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
著者Chen, Z, Watanabe, S, Inaba, K.
登録日2022-06-28
公開日2023-03-22
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structures of human SPCA1a reveal the mechanism of Ca 2+ /Mn 2+ transport into the Golgi apparatus.
Sci Adv, 9, 2023
7YAH
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BU of 7yah by Molmil
CryoEM structure of SPCA1a in E1-Ca-AMPPCP state subclass 2
分子名称: CALCIUM ION, Calcium-transporting ATPase type 2C member 1, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
著者Chen, Z, Watanabe, S, Inaba, K.
登録日2022-06-28
公開日2023-03-22
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Cryo-EM structures of human SPCA1a reveal the mechanism of Ca 2+ /Mn 2+ transport into the Golgi apparatus.
Sci Adv, 9, 2023
7YAI
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BU of 7yai by Molmil
CryoEM structure of SPCA1a in E1-Ca-AMPPCP state subclass 3
分子名称: CALCIUM ION, Calcium-transporting ATPase type 2C member 1, Nanobody head piece of megabody, ...
著者Chen, Z, Watanabe, S, Inaba, K.
登録日2022-06-28
公開日2023-03-22
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Cryo-EM structures of human SPCA1a reveal the mechanism of Ca 2+ /Mn 2+ transport into the Golgi apparatus.
Sci Adv, 9, 2023
7YAJ
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CryoEM structure of SPCA1a in E1-Mn-AMPPCP state subclass 1
分子名称: Calcium-transporting ATPase type 2C member 1, MANGANESE (II) ION, Nanobody head piece of megabody, ...
著者Chen, Z, Watanabe, S, Inaba, K.
登録日2022-06-28
公開日2023-03-22
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Cryo-EM structures of human SPCA1a reveal the mechanism of Ca 2+ /Mn 2+ transport into the Golgi apparatus.
Sci Adv, 9, 2023
7YAM
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CryoEM structure of SPCA1a in E2P state
分子名称: BERYLLIUM TRIFLUORIDE ION, Calcium-transporting ATPase type 2C member 1, MAGNESIUM ION
著者Chen, Z, Watanabe, S, Inaba, K.
登録日2022-06-28
公開日2023-03-22
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structures of human SPCA1a reveal the mechanism of Ca 2+ /Mn 2+ transport into the Golgi apparatus.
Sci Adv, 9, 2023
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