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6VEM
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BU of 6vem by Molmil
Structure of RNA octamer
分子名称: COBALT HEXAMMINE(III), Modified Octamer RNA
著者Pallan, P.S, Egli, M.
登録日2020-01-02
公開日2020-11-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Synthesis, chirality-dependent conformational and biological properties of siRNAs containing 5'-(R)- and 5'-(S)-C-methyl-guanosine.
Nucleic Acids Res., 48, 2020
6VG7
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BU of 6vg7 by Molmil
De novo designed Rossmann fold protein ROS2_49223
分子名称: De novo designed protein RO2_25
著者Pan, X, Zhang, Y, Kelly, M, Kortemme, T.
登録日2020-01-07
公開日2020-08-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020
6MLU
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BU of 6mlu by Molmil
Cryo-EM structure of lipid droplet formation protein Seipin/BSCL2
分子名称: Seipin
著者Sui, X, Arlt, H, Liao, M, Walther, C.T, Farese, V.R.
登録日2018-09-28
公開日2018-10-17
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Cryo-electron microscopy structure of the lipid droplet-formation protein seipin.
J. Cell Biol., 217, 2018
6MO5
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BU of 6mo5 by Molmil
Co-Crystal structure of P. aeruginosa LpxC-50228 complex
分子名称: MAGNESIUM ION, N-[(2S)-1-(hydroxyamino)-3-methyl-3-{[(oxetan-3-yl)methyl]sulfonyl}-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase
著者Stein, A.J, Holt, M.C, Assar, Z, Cohen, F, Andrews, L, Cirz, R.
登録日2018-10-04
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
6V79
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Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (CD2) complexed with NF2376
分子名称: 1,2-ETHANEDIOL, 4-{[(2S)-3,3-dimethyl-2-(pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]methyl}-N-hydroxybenzamide, Hdac6 protein, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-12-08
公開日2020-12-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.03951526 Å)
主引用文献Harnessing the Role of HDAC6 in Idiopathic Pulmonary Fibrosis: Design, Synthesis, Structural Analysis, and Biological Evaluation of Potent Inhibitors.
J.Med.Chem., 64, 2021
7C09
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BU of 7c09 by Molmil
Structure of lysozyme obtained in SSRF using serial crystallography
分子名称: Lysozyme C
著者Zhao, F.Z.
登録日2020-04-30
公開日2020-12-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A novel sample delivery system based on circular motion for in situ serial synchrotron crystallography.
Lab Chip, 20, 2020
6V0L
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BU of 6v0l by Molmil
PDGFR-b Promoter Forms a G-Vacancy Quadruplex that Can be Complemented by dGMP: Molecular Structure and Recognition of Guanine Derivatives and Metabolites
分子名称: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, DNA (5'-D(*(3D1)P*AP*GP*GP*GP*AP*GP*GP*GP*CP*GP*GP*CP*GP*GP*GP*AP*CP*A)-3')
著者Wang, K.B, Dickerhoff, J, Wu, G, Yang, D.
登録日2019-11-18
公開日2020-03-11
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献PDGFR-beta Promoter Forms a Vacancy G-Quadruplex that Can Be Filled in by dGMP: Solution Structure and Molecular Recognition of Guanine Metabolites and Drugs.
J.Am.Chem.Soc., 142, 2020
6V2F
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BU of 6v2f by Molmil
Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, GS-6207
分子名称: HIV-1 capsid, N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide
著者Appleby, T.C, Link, J.O, Yant, S.R, Villasenor, A.G, Somoza, J.R, Hu, E.Y, Schroeder, S.D, Cihlar, T.
登録日2019-11-22
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Clinical targeting of HIV capsid protein with a long-acting small molecule.
Nature, 584, 2020
1FIV
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BU of 1fiv by Molmil
STRUCTURE OF AN INHIBITOR COMPLEX OF PROTEINASE FROM FELINE IMMUNODEFICIENCY VIRUS
分子名称: FIV PROTEASE, FIV PROTEASE INHIBITOR ACE-ALN-VAL-STA-GLU-ALN-NH2
著者Wlodawer, A, Gustchina, A, Reshetnikova, L, Lubkowski, J, Zdanov, A.
登録日1995-05-04
公開日1995-07-31
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of an inhibitor complex of the proteinase from feline immunodeficiency virus.
Nat.Struct.Biol., 2, 1995
6MRY
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BU of 6mry by Molmil
NoD173 plant defensin
分子名称: 1,2-ETHANEDIOL, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, CHLORIDE ION, ...
著者Caria, S, Kvansakul, M.
登録日2018-10-15
公開日2019-04-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and functional characterization of the membrane-permeabilizing activity ofNicotiana occidentalisdefensin NoD173 and protein engineering to enhance oncolysis.
Faseb J., 33, 2019
1FJ1
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BU of 1fj1 by Molmil
LYME DISEASE ANTIGEN OSPA IN COMPLEX WITH NEUTRALIZING ANTIBODY FAB LA-2
分子名称: HYBRIDOMA ANTIBODY LA2 (HEAVY CHAIN), HYBRIDOMA ANTIBODY LA2 (LIGHT CHAIN), OUTER SURFACE PROTEIN A
著者Ding, W, Lawson, C.L.
登録日2000-08-07
公開日2000-10-11
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Structural identification of a key protective B-cell epitope in Lyme disease antigen OspA.
J.Mol.Biol., 302, 2000
6MX8
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BU of 6mx8 by Molmil
Crystal structure of anaplastic lymphoma kinase (ALK) bound by Brigatinib
分子名称: 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor
著者Dougan, D.R, Zhou, T.
登録日2018-10-30
公開日2018-12-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Discovery of Brigatinib (AP26113), a Phosphine Oxide-Containing, Potent, Orally Active Inhibitor of Anaplastic Lymphoma Kinase.
J. Med. Chem., 59, 2016
6MW5
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BU of 6mw5 by Molmil
UDP-galactose:glucoside-Skp1 alpha-D-galactosyltransferase with bound UDP and Platinum
分子名称: 1,2-ETHANEDIOL, PLATINUM (II) ION, UDP-galactose:glucoside-Skp1 alpha-D-galactosyltransferase, ...
著者Kim, H.W, Wood, Z.A, West, C.M.
登録日2018-10-29
公開日2019-10-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A terminal alpha 3-galactose modification regulates an E3 ubiquitin ligase subunit in Toxoplasma gondii .
J.Biol.Chem., 295, 2020
7BWM
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BU of 7bwm by Molmil
Cryo-EM structure of the human pathogen Mycoplasma pneumoniae P1
分子名称: Adhesin P1
著者Kawamoto, A, Kenri, T, Namba, K, Miyata, M.
登録日2020-04-15
公開日2020-10-28
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Immunodominant proteins P1 and P40/P90 from human pathogen Mycoplasma pneumoniae.
Nat Commun, 11, 2020
1FRH
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BU of 1frh by Molmil
AZOTOBACTER VINELANDII FERREDOXIN I: ALTERATION OF INDIVIDUAL SURFACE CHARGES AND THE [4FE-4S] CLUSTER REDUCTION POTENTIAL
分子名称: FE3-S4 CLUSTER, FERREDOXIN, IRON/SULFUR CLUSTER
著者Stout, C.D.
登録日1993-09-27
公開日1994-08-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Azotobacter vinelandii ferredoxin I. Alteration of individual surface charges and the [4FE-4S]2+/+ cluster reduction potential.
J.Biol.Chem., 269, 1994
7BNT
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BU of 7bnt by Molmil
Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikD with a predicted ancestral HMA domain of Pik-1 from Oryza spp.
分子名称: 1,2-ETHANEDIOL, AVR-Pik protein, Predicted ancestral HMA domain of Pik-1 from Oryza spp.
著者Bialas, A, Langner, T, Harant, A, Contreras, M.P, Stevenson, C.E.M, Lawson, D.M, Sklenar, J, Kellner, R, Moscou, M.J, Terauchi, R, Banfield, M.J, Kamoun, S.
登録日2021-01-22
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Two NLR immune receptors acquired high-affinity binding to a fungal effector through convergent evolution of their integrated domain.
Elife, 10, 2021
6N76
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BU of 6n76 by Molmil
Crystal Structure of ATPase delta1-79 Spa47 E287R
分子名称: ATP synthase SpaL/MxiB
著者Morales, Y, Johnson, S.J, Demler, H.J, Dickenson, N.E.
登録日2018-11-27
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.892 Å)
主引用文献Interfacial amino acids support Spa47 oligomerization and shigella type three secretion system activation.
Proteins, 87, 2019
6MW7
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BU of 6mw7 by Molmil
Crystal structure of ATPase module of SMCHD1 bound to ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, SODIUM ION, ...
著者Pedersen, L.C, Inoue, K, Kim, S, Perera, L, Shaw, N.D.
登録日2018-10-29
公開日2019-09-11
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (2.194 Å)
主引用文献A ubiquitin-like domain is required for stabilizing the N-terminal ATPase module of human SMCHD1.
Commun Biol, 2, 2019
7BD7
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BU of 7bd7 by Molmil
X-ray structure of Arsenoplatin-1-encapsulated horse spleen ferritin
分子名称: CADMIUM ION, CHLORIDE ION, Ferritin light chain, ...
著者Ferraro, G, Merlino, A.
登録日2020-12-21
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Arsenoplatin-Ferritin Nanocage: Structure and Cytotoxicity.
Int J Mol Sci, 22, 2021
6VEB
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BU of 6veb by Molmil
Precorrin-2-bound S128A S. typhimurium siroheme synthase
分子名称: 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,1 2,18-tetrayl]tetrapropanoic acid, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Pennington, J.M, Stroupe, M.E.
登録日2019-12-31
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
6N2I
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BU of 6n2i by Molmil
Lon protease AAA+ domain
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA-binding ATP-dependent protease La
著者Botos, I, Li, M, Wlodawer, A, Gustchina, A.
登録日2018-11-13
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献New insights into structural and functional relationships between LonA proteases and ClpB chaperones.
Febs Open Bio, 9, 2019
7BEA
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BU of 7bea by Molmil
Structure of human Programmed cell death 1 ligand 1 (PD-L1) with inhibitor
分子名称: 2-(aminomethyl)-6-[(2-methyl-3-phenyl-phenyl)methoxy]-~{N}-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine, Programmed cell death 1 ligand 1
著者Magiera-Mularz, K, Butera, R, Wazynska, M, Holak, T, Domling, A.
登録日2020-12-22
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Imidazopyridines as PD-1/PD-L1 Antagonists.
Acs Med.Chem.Lett., 12, 2021
1F8V
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BU of 1f8v by Molmil
THE STRUCTURE OF PARIACOTO VIRUS REVEALS A DODECAHEDRAL CAGE OF DUPLEX RNA
分子名称: CALCIUM ION, MATURE CAPSID PROTEIN BETA, MATURE CAPSID PROTEIN GAMMA, ...
著者Tang, L, Johnson, K.N, Ball, L.A, Lin, T, Yeager, M, Johnson, J.E.
登録日2000-07-05
公開日2000-12-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The structure of pariacoto virus reveals a dodecahedral cage of duplex RNA.
Nat.Struct.Biol., 8, 2001
1FRJ
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BU of 1frj by Molmil
AZOTOBACTER VINELANDII FERREDOXIN I: ALTERATION OF INDIVIDUAL SURFACE CHARGES AND THE [4FE-4S] CLUSTER REDUCTION POTENTIAL
分子名称: FE3-S4 CLUSTER, FERREDOXIN, IRON/SULFUR CLUSTER
著者Stout, C.D.
登録日1993-09-27
公開日1994-08-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Azotobacter vinelandii ferredoxin I. Alteration of individual surface charges and the [4FE-4S]2+/+ cluster reduction potential.
J.Biol.Chem., 269, 1994
6VGA
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BU of 6vga by Molmil
De novo designed Rossmann fold protein ROS2_835
分子名称: De novo designed protein RO2_1
著者Pan, X, Zhang, Y, Kelly, M, Kortemme, T.
登録日2020-01-07
公開日2020-08-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020

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