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7XS2
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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
5Z0S
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BU of 5z0s by Molmil
Crystal structure of FGFR1 kinase domain in complex with a novel inhibitor
分子名称: 1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)sulfonyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine, Fibroblast growth factor receptor 1
著者Liu, Q, Xu, Y.
登録日2017-12-20
公開日2018-12-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure-Based Discovery of a Series of 5H-Pyrrolo[2,3-b]pyrazine FGFR Kinase Inhibitors
Molecules, 23, 2018
6IUP
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BU of 6iup by Molmil
Crystal structure of FGFR4 kinase domain in complex with compound 5
分子名称: DIMETHYL SULFOXIDE, Fibroblast growth factor receptor 4, N-{4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}prop-2-enamide
著者Xu, Y, Liu, Q.
登録日2018-11-29
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
J.Med.Chem., 62, 2019
6ITJ
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BU of 6itj by Molmil
Crystal structure of FGFR1 kinase domain in complex with compound 3
分子名称: 4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{H}-pyrazolo[3,4-d]pyridazin-7-one, Fibroblast growth factor receptor 1
著者Xu, Y, Liu, Q.
登録日2018-11-23
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.994 Å)
主引用文献Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
J.Med.Chem., 62, 2019
6IUO
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BU of 6iuo by Molmil
Crystal structure of FGFR4 kinase domain in complex with a covalent inhibitor
分子名称: Fibroblast growth factor receptor 4, N-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide
著者Xu, Y, Liu, Q.
登録日2018-11-29
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
J.Med.Chem., 62, 2019
6C7S
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BU of 6c7s by Molmil
Structure of Rifampicin Monooxygenase with Product Bound
分子名称: (1E,3S,4R,5S,6R,7R,8R,9S,10S,11E,13E)-15-amino-1-{[(2S)-5,7-dihydroxy-2,4-dimethyl-8-{(E)-[(4-methylpiperazin-1-yl)imino]methyl}-1,6,9-trioxo-1,2,6,9-tetrahydronaphtho[2,1-b]furan-2-yl]oxy}-7,9-dihydroxy-3-methoxy-4,6,8,10,14-pentamethyl-15-oxopentadeca-1,11,13-trien-5-yl acetate, 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Liu, L.-K, Tanner, J.J.
登録日2018-01-23
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Evidence for Rifampicin Monooxygenase Inactivating Rifampicin by Cleaving Its Ansa-Bridge.
Biochemistry, 57, 2018
7YLA
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BU of 7yla by Molmil
Cryo-EM structure of 50S-HflX complex
分子名称: 50S ribosomal protein L11, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
著者Damu, W, Ning, G.
登録日2022-07-25
公開日2023-01-04
最終更新日2024-01-17
実験手法ELECTRON MICROSCOPY (2.52 Å)
主引用文献Cryo-EM Structure of the 50S-HflX Complex Reveals a Novel Mechanism of Antibiotic Resistance in E. coli
Biorxiv, 2022
7ZG8
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BU of 7zg8 by Molmil
Crystal structure of A. baumannii penicillin-binding protein 2
分子名称: Peptidoglycan D,D-transpeptidase MrdA, ZINC ION
著者Micelli, C, Crow, A, Roper, D.I.
登録日2022-04-02
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献A conserved zinc-binding site in Acinetobacter baumannii PBP2 required for elongasome-directed bacterial cell shape.
Proc.Natl.Acad.Sci.USA, 120, 2023
1ZRR
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BU of 1zrr by Molmil
Residual Dipolar Coupling Refinement of Acireductone Dioxygenase from Klebsiella
分子名称: E-2/E-2' protein, NICKEL (II) ION
著者Pochapsky, T.C, Pochapsky, S.S, Ju, T, Hoefler, C, Liang, J.
登録日2005-05-19
公開日2005-12-06
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A refined model for the structure of acireductone dioxygenase from Klebsiella ATCC 8724 incorporating residual dipolar couplings
J.Biomol.NMR, 34, 2006
2HJI
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BU of 2hji by Molmil
Structural model for the Fe-containing isoform of acireductone dioxygenase
分子名称: E-2/E-2' protein, FE (II) ION
著者Pochapsky, T.C, Ju, T, Maroney, M.J, Chai, S.C.
登録日2006-06-30
公開日2006-10-24
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献One Protein, Two Enzymes Revisited: A Structural Entropy Switch Interconverts the Two Isoforms of Acireductone Dioxygenase
J.Mol.Biol., 363, 2006
6JQX
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BU of 6jqx by Molmil
Crystal structure of a hydrogenase from Trichosporon moniliiforme
分子名称: 2-HYDROXYBENZOIC ACID, Salicylate decarboxylase, ZINC ION
著者Qin, H.M, Chen, X.T.
登録日2019-04-01
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.672 Å)
主引用文献Structural Basis of Salicylic Acid Decarboxylase Reveals a Unique Substrate Recognition Mode and Access Channel.
J.Agric.Food Chem., 69, 2021
6JQW
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BU of 6jqw by Molmil
Crystal structure of a hydrogenase from Trichosporon moniliiforme
分子名称: Salicylate decarboxylase, ZINC ION
著者Qin, H.M, Chen, X.T.
登録日2019-04-01
公開日2020-04-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.437 Å)
主引用文献Structural Basis of Salicylic Acid Decarboxylase Reveals a Unique Substrate Recognition Mode and Access Channel.
J.Agric.Food Chem., 69, 2021
7V97
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BU of 7v97 by Molmil
Arsenic-bound p53 DNA-binding domain mutant V272M
分子名称: ARSENIC, Cellular tumor antigen p53, ZINC ION
著者Lu, M, Xing, Y.F, Wang, Z.Y, Ni, Y, Song, H.X.
登録日2021-08-24
公開日2022-08-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Diverse rescue potencies of p53 mutations to ATO are predetermined by intrinsic mutational properties.
Sci Transl Med, 15, 2023
8GYB
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BU of 8gyb by Molmil
Crystal structure of Alongshan virus methyltransferase bound to S-adenosyl-L-homocysteine
分子名称: Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Chen, H, Lin, S, Lu, G.W.
登録日2022-09-22
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structural and functional basis of low-affinity SAM/SAH-binding in the conserved MTase of the multi-segmented Alongshan virus distantly related to canonical unsegmented flaviviruses.
Plos Pathog., 19, 2023
8GYA
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BU of 8gya by Molmil
Crystal structure of Alongshan virus methyltransferase bound to Sinefungin
分子名称: Methyltransferase, SINEFUNGIN
著者Chen, H, Lin, S, Lu, G.W.
登録日2022-09-21
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.005 Å)
主引用文献Structural and functional basis of low-affinity SAM/SAH-binding in the conserved MTase of the multi-segmented Alongshan virus distantly related to canonical unsegmented flaviviruses.
Plos Pathog., 19, 2023
8GY4
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BU of 8gy4 by Molmil
Crystal structure of Alongshan virus methyltransferase
分子名称: Methyltransferase
著者Chen, H, Lin, S, Lu, G.W.
登録日2022-09-21
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and functional basis of low-affinity SAM/SAH-binding in the conserved MTase of the multi-segmented Alongshan virus distantly related to canonical unsegmented flaviviruses.
Plos Pathog., 19, 2023
8GY9
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BU of 8gy9 by Molmil
Crystal structure of Alongshan virus methyltransferase bound to S-adenosyl-L-methionine
分子名称: Methyltransferase, S-ADENOSYLMETHIONINE
著者Chen, H, Lin, S, Lu, G.W.
登録日2022-09-21
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and functional basis of low-affinity SAM/SAH-binding in the conserved MTase of the multi-segmented Alongshan virus distantly related to canonical unsegmented flaviviruses.
Plos Pathog., 19, 2023
8HR2
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BU of 8hr2 by Molmil
Ternary Crystal Complex Structure of RBD with NB1B5 and NB1C6
分子名称: NB1B5, NB1C6, Spike protein S1
著者Sun, Z.
登録日2022-12-14
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structure basis of two nanobodies neutralizing SARS-CoV-2 Omicron variant by targeting ultra-conservative epitopes.
J.Struct.Biol., 215, 2023
8H5U
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BU of 8h5u by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with neutralizing nanobody Nb-021
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, Nanobody Nb-021, ...
著者Yang, J, Lin, S, Lu, G.W.
登録日2022-10-13
公開日2023-10-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Development of a bispecific nanobody conjugate broadly neutralizes diverse SARS-CoV-2 variants and structural basis for its broad neutralization.
Plos Pathog., 19, 2023
8H5T
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BU of 8h5t by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with neutralizing nanobody Nb-015
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Nb-015, Spike protein S1
著者Yang, J, Lin, S, Lu, G.W.
登録日2022-10-13
公開日2023-10-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of a bispecific nanobody conjugate broadly neutralizes diverse SARS-CoV-2 variants and structural basis for its broad neutralization.
Plos Pathog., 19, 2023
7V3R
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BU of 7v3r 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-(2-phenylazanylpyrimidin-4-yl)oxy-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 (1.7 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
7V3S
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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
7XC5
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BU of 7xc5 by Molmil
Crystal structure of the ANK domain of CLPB
分子名称: Isoform 2 of Caseinolytic peptidase B protein homolog
著者Liu, Y, Wu, D, Lu, G, Gao, N, Lin, J.
登録日2022-03-23
公開日2023-01-18
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Comprehensive structural characterization of the human AAA+ disaggregase CLPB in the apo- and substrate-bound states reveals a unique mode of action driven by oligomerization.
Plos Biol., 21, 2023
8H41
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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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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

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