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8QUJ
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BU of 8quj by Molmil
Hexameric HIV-1 CA in complex with DDD00100452
分子名称: 1,2-ETHANEDIOL, 3-(phenylmethyl)-1~{H}-imidazol-2-one, Spacer peptide 1
著者Petit, A.P, Fyfe, P.K.
登録日2023-10-16
公開日2024-03-27
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments.
Chemmedchem, 19, 2024
6CCX
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BU of 6ccx by Molmil
NMR data-driven model of GTPase KRas-GMPPNP:Cmpd2 complex tethered to a nanodisc
分子名称: (2R,4S)-4-[(5-bromo-1H-indole-3-carbonyl)amino]-2-[(4-chlorophenyl)methyl]piperidin-1-ium, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, ...
著者Fang, Z, Marshall, C.B, Nishikawa, T, Gossert, A.D, Jansen, J.M, Jahnke, W, Ikura, M.
登録日2018-02-07
公開日2018-09-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Inhibition of K-RAS4B by a Unique Mechanism of Action: Stabilizing Membrane-Dependent Occlusion of the Effector-Binding Site.
Cell Chem Biol, 25, 2018
6UDO
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Human IMPDH2 treated with ATP, IMP, and 20 mM GTP. Fully compressed filament segment reconstruction.
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ...
著者Johnson, M.C, Kollman, J.M.
登録日2019-09-19
公開日2020-03-25
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
5LP5
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BU of 5lp5 by Molmil
Complex between Penicillin-Binding Protein (PBP2) and MreC from Helicobacter pylori
分子名称: Penicillin-binding protein 2 (Pbp2), Rod shape-determining protein (MreC)
著者Contreras-Martel, C, Martins, A, Ecobichon, C, Maragno, D.M, Mattei, P.J, El Ghachi, M, Hicham, S, Hardouin, P, Boneca, I.G, Dessen, A.
登録日2016-08-11
公開日2017-08-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Molecular architecture of the PBP2-MreC core bacterial cell wall synthesis complex.
Nat Commun, 8, 2017
8QUD
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BU of 8qud by Molmil
Cryo-EM Structure of Human Kv3.1 in Complex with Modulator AUT5
分子名称: (5R)-5-ethyl-3-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridin-3-yl)imidazolidine-2,4-dione, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, CHOLESTEROL HEMISUCCINATE, ...
著者Chi, G, Mckinley, G, Marsden, B, Pike, A.C.W, Ye, M, Brooke, L.M, Bakshi, S, Lakshminarayana, B, Pilati, N, Marasco, A, Gunthorpe, M, Alvaro, G.S, Large, C.H, Williams, E, Sauer, D.B.
登録日2023-10-16
公開日2024-04-03
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献The binding and mechanism of a positive allosteric modulator of Kv3 channels.
Nat Commun, 15, 2024
6CCH
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BU of 6cch by Molmil
NMR data-driven model of GTPase KRas-GMPPNP tethered to a nanodisc (E3 state)
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ...
著者Fang, Z, Marshall, C.B, Nishikawa, T, Gossert, A.D, Jansen, J.M, Jahnke, W, Ikura, M.
登録日2018-02-07
公開日2018-08-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Inhibition of K-RAS4B by a Unique Mechanism of Action: Stabilizing Membrane-Dependent Occlusion of the Effector-Binding Site.
Cell Chem Biol, 25, 2018
5I2C
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BU of 5i2c by Molmil
Arginine-bound CASTOR1 from Homo sapiens
分子名称: ACETATE ION, ARGININE, GATS-like protein 3
著者Saxton, R.A, Knockenhauer, K.E, Schwartz, T.U.
登録日2016-02-08
公開日2016-08-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Mechanism of arginine sensing by CASTOR1 upstream of mTORC1.
Nature, 536, 2016
7JN4
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BU of 7jn4 by Molmil
Rubisco in the apo state
分子名称: Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase small chain 2, chloroplastic
著者Matthies, D, Jonikas, M.C, He, S.
登録日2020-08-03
公開日2020-11-18
最終更新日2020-12-23
実験手法ELECTRON MICROSCOPY (2.68 Å)
主引用文献The structural basis of Rubisco phase separation in the pyrenoid.
Nat.Plants, 6, 2020
6JEO
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BU of 6jeo by Molmil
Structure of PSI tetramer from Anabaena
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Kato, K, Nagao, R, Shen, J.R, Miyazaki, N, Akita, F.
登録日2019-02-06
公開日2019-11-13
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of a cyanobacterial photosystem I tetramer revealed by cryo-electron microscopy.
Nat Commun, 10, 2019
6W1N
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BU of 6w1n by Molmil
Pig Ryanodine Receptor (WT) in 5mM EGTA condition
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine Receptor, ZINC ION
著者Woll, K.W, Haji-Ghassemi, O, Van Petegem, F.
登録日2020-03-04
公開日2021-01-06
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Pathological conformations of disease mutant Ryanodine Receptors revealed by cryo-EM.
Nat Commun, 12, 2021
6ONT
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BU of 6ont by Molmil
Structure of the Francisella response regulator 1452 receiver domain
分子名称: CALCIUM ION, CHLORIDE ION, SODIUM ION, ...
著者Milton, M.E, Cavanagh, J.
登録日2019-04-22
公開日2020-03-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Francisella novicidaTwo-Component System Response Regulator BfpR Modulates iglC Gene Expression, Antimicrobial Peptide Resistance, and Biofilm Production.
Front Cell Infect Microbiol, 10, 2020
6DA1
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BU of 6da1 by Molmil
ETS1 in complex with synthetic SRR mimic
分子名称: Protein C-ets-1, SULFATE ION, serine-rich region (SRR) peptide
著者Perez-Borrajero, C, Okon, M, Lin, C.S, Scheu, K, Murphy, M.E.P, Graves, B.J, McIntosh, L.P.
登録日2018-05-01
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.000127 Å)
主引用文献The Biophysical Basis for Phosphorylation-Enhanced DNA-Binding Autoinhibition of the ETS1 Transcription Factor.
J. Mol. Biol., 431, 2019
7JRG
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BU of 7jrg by Molmil
Plant Mitochondrial complex III2 from Vigna radiata
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Alpha-MPP, ...
著者Maldonado, M, Letts, J.A.
登録日2020-08-12
公開日2021-01-20
最終更新日2021-02-03
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Atomic structures of respiratory complex III 2 , complex IV, and supercomplex III 2 -IV from vascular plants.
Elife, 10, 2021
6W4H
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BU of 6w4h by Molmil
1.80 Angstrom Resolution Crystal Structure of NSP16 - NSP10 Complex from SARS-CoV-2
分子名称: 2'-O-methyltransferase, ACETATE ION, Non-structural protein 10, ...
著者Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Wiersum, G, Godzik, A, Jaroszewski, L, Stogios, P.J, Skarina, T, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-03-10
公開日2020-03-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High-resolution structures of the SARS-CoV-2 2'- O -methyltransferase reveal strategies for structure-based inhibitor design.
Sci.Signal., 13, 2020
6O0L
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BU of 6o0l by Molmil
crystal structure of BCL-2 G101V mutation with venetoclax
分子名称: 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl )methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2, CHLORIDE ION, ...
著者Birkinshaw, R.W, Luo, C.S, Colman, P.M, Czabotar, P.E.
登録日2019-02-16
公開日2019-05-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations.
Nat Commun, 10, 2019
6O0P
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crystal structure of BCL-2 G101A mutation with venetoclax
分子名称: 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl )methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2, DI(HYDROXYETHYL)ETHER
著者Birkinshaw, R.W, Luo, C.S, Colman, P.M, Czabotar, P.E.
登録日2019-02-17
公開日2019-05-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations.
Nat Commun, 10, 2019
7K2T
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BU of 7k2t by Molmil
Mg2+/ATP-bound structure of the full-length WzmWzt O antigen ABC transporter in lipid nanodiscs
分子名称: ABC transporter, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Caffalette, C.A, Zimmer, J.
登録日2020-09-09
公開日2021-01-13
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structure of the full-length WzmWzt ABC transporter required for lipid-linked O antigen transport.
Proc.Natl.Acad.Sci.USA, 118, 2021
6C97
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BU of 6c97 by Molmil
Crystal structure of FcRn at pH3
分子名称: Beta-2-microglobulin, GLYCEROL, IgG receptor FcRn large subunit p51
著者Fox III, D, Fairman, J.W.
登録日2018-01-25
公開日2018-05-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR.
PLoS Biol., 16, 2018
6J65
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BU of 6j65 by Molmil
Crystal structure of human HINT1 mutant complexing with AP4A II
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, Histidine triad nucleotide-binding protein 1
著者Wang, J, Fang, P, Guo, M.
登録日2019-01-14
公開日2019-09-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
6VKM
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Crystal Structure of Stabilized GP from Makona Variant of Ebola Virus
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, Virion spike glycoprotein
著者Gilman, M.S.A, Rutten, L, Langedijk, J.P.M, McLellan, J.S.
登録日2020-01-21
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure-Based Design of Prefusion-Stabilized Filovirus Glycoprotein Trimers.
Cell Rep, 30, 2020
1GUO
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MopII from Clostridium pasteurianum complexed with molybdate
分子名称: MOLYBDATE BINDING PROTEIN II, MOLYBDATE ION
著者Schuettelkopf, A.W, Harrison, J.A, Hunter, W.N.
登録日2002-01-28
公開日2002-02-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Passive Acquisition of Ligand by the Mopii Molbindin from Clostridium Pasteurianum: Structures of Apo and Oxyanion-Bound Forms
J.Biol.Chem., 277, 2002
6VME
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BU of 6vme by Molmil
Human ESCRT-I heterotetramer headpiece
分子名称: Multivesicular body subunit 12A, Tumor susceptibility gene 101 protein, Vacuolar protein sorting-associated protein 28 homolog, ...
著者Flower, T.G, Hurley, J.H, Tjahjono, N.
登録日2020-01-27
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献A helical assembly of human ESCRT-I scaffolds reverse-topology membrane scission.
Nat.Struct.Mol.Biol., 27, 2020
6JZB
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Structural characterization of DnaJ from Streptococcus pneumonia presents a new tetramer of Hsp40 family
分子名称: Chaperone protein DnaJ, ZINC ION
著者Zhu, M, Zhu, Z.L.
登録日2019-04-30
公開日2020-11-04
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.754 Å)
主引用文献Structural insights into the formation of oligomeric state by a type I Hsp40 chaperone.
Biochimie, 176, 2020
6U7L
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2.75 Angstrom Crystal Structure of Galactarate Dehydratase from Escherichia coli.
分子名称: CALCIUM ION, CHLORIDE ION, Galactarate dehydratase (L-threo-forming)
著者Minasov, G, Shuvalova, L, Wawrzak, Z, Dubrovska, I, Kiryukhina, O, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-09-03
公開日2019-11-06
最終更新日2021-01-27
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure of galactarate dehydratase, a new fold in an enolase involved in bacterial fitness after antibiotic treatment.
Protein Sci., 29, 2020
7JOY
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BU of 7joy by Molmil
Product structure of SARS-CoV-2 Mpro C145A mutant in complex with its C-terminal autoprocessing sequence.
分子名称: 3C-like proteinase
著者Lee, J, Worrall, L.J, Paetzel, M, Strynadka, N.C.J.
登録日2020-08-07
公開日2020-10-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallographic structure of wild-type SARS-CoV-2 main protease acyl-enzyme intermediate with physiological C-terminal autoprocessing site.
Nat Commun, 11, 2020

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