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7VK9
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BU of 7vk9 by Molmil
Crystal structure of xCas9 P411T
分子名称: CRISPR-associated endonuclease Cas9/Csn1
著者Bao, R, Liu, H.Y, Luo, Y.Z, Song, Y.J.
登録日2021-09-29
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural and Dynamics Studies of the Spcas9 Variant Provide Insights into the Regulatory Role of the REC1 Domain
Acs Catalysis, 12, 2022
5XMA
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BU of 5xma by Molmil
Crystal structure of AsfvPolX in complex with DNA enzyme at P43212 space group
分子名称: DNA (36-MER), DNA/RNA (5'-D(*AP*CP*GP*AP*GP*AP*GP*AP*GP*AP*T)-R(P*G)-D(P*GP*GP*TP*GP*CP*GP*TP*TP*AP*CP*A)-3'), Repair DNA polymerase X
著者Liu, H.H, Gan, J.H.
登録日2017-05-13
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Crystal structure of an RNA-cleaving DNAzyme.
Nat Commun, 8, 2017
5XM9
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BU of 5xm9 by Molmil
Crystal structure of AsfvPolX in complex with DNA enzyme.
分子名称: DNA (23-mer), DNA (36-MER), Repair DNA polymerase X
著者Liu, H.H, Gan, J.H.
登録日2017-05-13
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.053 Å)
主引用文献Crystal structure of an RNA-cleaving DNAzyme.
Nat Commun, 8, 2017
7C88
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BU of 7c88 by Molmil
Complex structure of JS003 and PD-L1
分子名称: JS003 Heavy chain, JS003 Light chain, Programmed cell death 1 ligand 1
著者Bi, X, Shi, R, Chai, Y, Qi, J, Yan, J, Tan, S.
登録日2020-05-29
公開日2021-04-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Identification of a hotspot on PD-L1 for pH-dependent binding by monoclonal antibodies for tumor therapy.
Signal Transduct Target Ther, 5, 2020
7D33
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BU of 7d33 by Molmil
The Pb2+ complexed structure of TBA G8C mutant
分子名称: DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*CP*TP*GP*GP*TP*TP*GP*G)-3'), LEAD (II) ION
著者Liu, H.H, Gao, Y.Q, Sheng, J, Gan, J.H.
登録日2020-09-18
公開日2021-09-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.117 Å)
主引用文献Structure-guided development of Pb 2+ -binding DNA aptamers.
Sci Rep, 12, 2022
7D31
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The TBA-Pb2+ complex in P41212 space group
分子名称: DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3'), LEAD (II) ION
著者Liu, H.H, Gao, Y.Q, Sheng, J, Gan, J.H.
登録日2020-09-18
公開日2021-09-22
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.396 Å)
主引用文献Structure-guided development of Pb 2+ -binding DNA aptamers.
Sci Rep, 12, 2022
7D32
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BU of 7d32 by Molmil
The TBA-Pb2+ complex in P41212 space group
分子名称: DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3'), LEAD (II) ION
著者Liu, H.H, Gao, Y.Q, Sheng, J, Gan, J.H.
登録日2020-09-18
公開日2021-09-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.707 Å)
主引用文献Structure-guided development of Pb 2+ -binding DNA aptamers.
Sci Rep, 12, 2022
7CPW
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BU of 7cpw by Molmil
Complex structure of DNA with self-catalyzed depurination activity
分子名称: DNA (5'-D(*CP*GP*TP*GP*AP*TP*CP*GP*GP*AP*GP*AP*CP*GP*AP*TP*CP*AP*CP*G)-3'), DNA polymerase beta-like protein
著者Gan, J.H.
登録日2020-08-08
公開日2021-08-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.849 Å)
主引用文献Crystallization and Structural Determination of 8-17 DNAzyme.
Methods Mol.Biol., 2439, 2022
7VM8
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BU of 7vm8 by Molmil
Crystal structure of the MtDMI1 gating ring
分子名称: Ion channel DMI1
著者Huang, X, Zhang, P.
登録日2021-10-08
公開日2022-08-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.034 Å)
主引用文献Constitutive activation of a nuclear-localized calcium channel complex in Medicago truncatula.
Proc.Natl.Acad.Sci.USA, 119, 2022
7XAB
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BU of 7xab by Molmil
Crystal structure of PDE4D catalytic domain complexed with compound 22d
分子名称: 9-(cyclopropylmethoxy)-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-(pyridin-4-ylmethoxy)pyrano[3,2-b]xanthen-6-one, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ...
著者Huang, Y.-Y, He, X, Luo, H.-B.
登録日2022-03-17
公開日2023-02-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.00067449 Å)
主引用文献Discovery of novel PDE4 inhibitors targeting the M-pocket from natural mangostanin with improved safety for the treatment of Inflammatory Bowel Diseases.
Eur.J.Med.Chem., 242, 2022
7XAA
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BU of 7xaa by Molmil
Crystal structure of PDE4D catalytic domain complexed with compound 21d
分子名称: 8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-5-(pyridin-4-ylmethoxy)pyrano[3,2-b]xanthen-6-one, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ...
著者Huang, Y.-Y, He, X, Luo, H.-B.
登録日2022-03-17
公開日2023-02-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.100414 Å)
主引用文献Discovery of novel PDE4 inhibitors targeting the M-pocket from natural mangostanin with improved safety for the treatment of Inflammatory Bowel Diseases.
Eur.J.Med.Chem., 242, 2022
6R48
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BU of 6r48 by Molmil
Crystal structure of LPOR (Synechocystis) complexed with NADPH at 1.87A resolution.
分子名称: CHLORIDE ION, Light-dependent protochlorophyllide reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhou, A, Feng, L.
登録日2019-03-22
公開日2019-10-30
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis.
Nature, 574, 2019
6R46
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BU of 6r46 by Molmil
Crystal structure of LPOR (Thermosynechococcus elongatus) complexed with NADP+ at 2.5A resolution
分子名称: CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-protochlorophyllide oxidoreductase, ...
著者Zhou, A, Feng, L.
登録日2019-03-22
公開日2019-10-30
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis.
Nature, 574, 2019
6LU7
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BU of 6lu7 by Molmil
The crystal structure of COVID-19 main protease in complex with an inhibitor N3
分子名称: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
著者Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z.
登録日2020-01-26
公開日2020-02-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.
Nature, 582, 2020
7BQY
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BU of 7bqy by Molmil
THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH AN INHIBITOR N3 at 1.7 angstrom
分子名称: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
著者Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z.
登録日2020-03-26
公開日2020-04-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.
Nature, 582, 2020
8X6B
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BU of 8x6b by Molmil
Crystal structure of immune receptor PVRIG in complex with ligand Nectin-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nectin-2, Transmembrane protein PVRIG
著者Hu, S.T, Han, P, Wang, H, Qi, J.X.
登録日2023-11-21
公開日2024-04-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for the immune recognition and selectivity of the immune receptor PVRIG for ligand Nectin-2.
Structure, 2024
4XNW
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BU of 4xnw by Molmil
The human P2Y1 receptor in complex with MRS2500
分子名称: P2Y purinoceptor 1,Rubredoxin,P2Y purinoceptor 1, ZINC ION, [(1R,2S,4S,5S)-4-[2-iodo-6-(methylamino)-9H-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate
著者Zhang, D, Gao, Z, Jacobson, K, Han, G.W, Stevens, R, Zhao, Q, Wu, B, GPCR Network (GPCR)
登録日2015-01-16
公開日2015-04-01
最終更新日2020-02-05
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Two disparate ligand-binding sites in the human P2Y1 receptor
Nature, 520, 2015
4XNV
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BU of 4xnv by Molmil
The human P2Y1 receptor in complex with BPTU
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea, CHOLESTEROL, ...
著者Zhang, D, Gao, Z, Jacobson, K, Han, G.W, Stevens, R, Zhao, Q, Wu, B, GPCR Network (GPCR)
登録日2015-01-16
公開日2015-04-01
最終更新日2020-02-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Two disparate ligand-binding sites in the human P2Y1 receptor
Nature, 520, 2015
8I1V
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BU of 8i1v by Molmil
The asymmetric unit of P22 procapsid
分子名称: Major capsid protein, Scaffolding protein
著者Xiao, H, Liu, H.R, Cheng, L.P.
登録日2023-01-13
公開日2023-03-08
最終更新日2023-03-15
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Assembly and Capsid Expansion Mechanism of Bacteriophage P22 Revealed by High-Resolution Cryo-EM Structures.
Viruses, 15, 2023
8I1T
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BU of 8i1t by Molmil
The asymmetric unit of P22 empty capsid
分子名称: Major capsid protein
著者Xiao, H, Liu, H.R, Cheng, L.P.
登録日2023-01-13
公開日2023-03-08
最終更新日2023-03-15
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Assembly and Capsid Expansion Mechanism of Bacteriophage P22 Revealed by High-Resolution Cryo-EM Structures.
Viruses, 15, 2023
5XOI
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BU of 5xoi by Molmil
The structure of OsALKBH1
分子名称: MANGANESE (II) ION, Oxidoreductase, 2OG-Fe oxygenase family protein, ...
著者Wang, C, Guo, Y, Zeng, Z.
登録日2017-05-28
公開日2018-06-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification and analysis of adenine N6-methylation sites in the rice genome.
Nat Plants, 4, 2018
4N6F
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BU of 4n6f by Molmil
Crystal structure of Amycolatopsis orientalis BexX complexed with G6P
分子名称: CALCIUM ION, FRUCTOSE -6-PHOSPHATE, Putative thiosugar synthase
著者Zhang, X, Zhang, Y, Kinsland, C, Sasaki, E, Sun, H.G, Lu, M.J, Liu, T, Ou, A, Li, J, Chen, Y, Liu, H, Ealick, S.E.
登録日2013-10-11
公開日2014-05-14
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Co-opting sulphur-carrier proteins from primary metabolic pathways for 2-thiosugar biosynthesis.
Nature, 509, 2014
4N6E
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BU of 4n6e by Molmil
Crystal structure of Amycolatopsis orientalis BexX/CysO complex
分子名称: Putative thiosugar synthase, SULFATE ION, ThiS/MoaD family protein
著者Zhang, X, Zhang, Y, Kinsland, C, Sasaki, E, Sun, H.G, Lu, M.J, Liu, T, Ou, A, Li, J, Chen, Y, Liu, H, Ealick, S.E.
登録日2013-10-11
公開日2014-05-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Co-opting sulphur-carrier proteins from primary metabolic pathways for 2-thiosugar biosynthesis.
Nature, 509, 2014
8IL3
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BU of 8il3 by Molmil
Cryo-EM structure of CD38 in complex with FTL004
分子名称: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, Heavy chain, Light chain
著者Yang, J, Wang, Y, Zhang, G.
登録日2023-03-01
公開日2023-03-29
実験手法ELECTRON MICROSCOPY (3.86 Å)
主引用文献FTL004, an anti-CD38 mAb with negligible RBC binding and enhanced pro-apoptotic activity, is a novel candidate for treatments of multiple myeloma and non-Hodgkin lymphoma.
J Hematol Oncol, 15, 2022
6LDZ
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BU of 6ldz by Molmil
Crystal structure of Rv0222 from Mycobacterium tuberculosis
分子名称: Probable enoyl-CoA hydratase EchA1 (Enoyl hydrase) (Unsaturated acyl-CoA hydratase) (Crotonase)
著者Li, J, Ran, Y.J, Wang, L, Wu, J.H, Ge, B.X, Rao, Z.H.
登録日2019-11-23
公開日2020-01-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Host-mediated ubiquitination of a mycobacterial protein suppresses immunity.
Nature, 577, 2020

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