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7M33
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BU of 7m33 by Molmil
The structure of Bacillus subtilis BmrCD in the inward-facing conformation bound to Hoechst-33342 and ATP
分子名称: 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, ADENOSINE-5'-TRIPHOSPHATE, Probable multidrug resistance ABC transporter ATP-binding/permease protein YheH, ...
著者Thaker, T.M, Tomasiak, T.M.
登録日2021-03-18
公開日2022-01-05
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.55 Å)
主引用文献Asymmetric drug binding in an ATP-loaded inward-facing state of an ABC transporter.
Nat.Chem.Biol., 18, 2022
5IHS
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BU of 5ihs by Molmil
Structure of CHU_2103 from Cytophaga hutchinsonii
分子名称: Endoglucanase, glycoside hydrolase family 5 protein
著者Silvaggi, N.R, Han, L.
登録日2016-02-29
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Periplasmic Cytophaga hutchinsonii Endoglucanases Are Required for Use of Crystalline Cellulose as the Sole Source of Carbon and Energy.
Appl.Environ.Microbiol., 82, 2016
7LLY
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BU of 7lly by Molmil
Oxyntomodulin-bound Glucagon-Like Peptide-1 (GLP-1) Receptor in complex with Gs protein
分子名称: Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Wootten, D, Sexton, P.M, Belousoff, M.J, Danev, R, Zhang, X, Khoshouei, M, Venugopal, H.
登録日2021-02-04
公開日2022-01-12
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Dynamics of GLP-1R peptide agonist engagement are correlated with kinetics of G protein activation.
Nat Commun, 13, 2022
1RZJ
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BU of 1rzj by Molmil
HIV-1 HXBC2 GP120 ENVELOPE GLYCOPROTEIN COMPLEXED WITH CD4 AND INDUCED NEUTRALIZING ANTIBODY 17B
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, HEAVY CHAIN, ...
著者Huang, C.C, Venturi, M, Majeed, S, Moore, M.J, Phogat, S, Zhang, M.-Y, Dimitrov, D.S, Hendrickson, W.A, Robinson, J, Sodroski, J, Wyatt, R, Choe, H, Farzan, M, Kwong, P.D.
登録日2003-12-24
公開日2004-02-03
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis of tyrosine sulfation and VH-gene usage in antibodies that recognize the HIV type 1 coreceptor-binding site on gp120
Proc.Natl.Acad.Sci.USA, 101, 2004
5IRS
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BU of 5irs by Molmil
crystal structure of the proteasomal Rpn13 PRU-domain
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Proteasomal ubiquitin receptor ADRM1
著者Chen, X, Shi, K, Walters, K, Aihara, H.
登録日2016-03-14
公開日2016-07-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献Structures of Rpn1 T1:Rad23 and hRpn13:hPLIC2 Reveal Distinct Binding Mechanisms between Substrate Receptors and Shuttle Factors of the Proteasome.
Structure, 24, 2016
5IRX
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BU of 5irx by Molmil
Structure of TRPV1 in complex with DkTx and RTX, determined in lipid nanodisc
分子名称: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate, (2S)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate, (4R,7S)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(pentanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphatetradecan-1-aminium, ...
著者Gao, Y, Cao, E, Julius, D, Cheng, Y.
登録日2016-03-14
公開日2016-05-25
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献TRPV1 structures in nanodiscs reveal mechanisms of ligand and lipid action.
Nature, 534, 2016
5II3
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BU of 5ii3 by Molmil
The X-ray structure of the adduct formed in the reaction between hen egg white lysozyme and compound 3, a platin(II) compound containing a O, S bidentate ligand
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ...
著者Ferraro, G, Merlino, A.
登録日2016-03-01
公開日2016-12-07
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Platinum(ii) O,S complexes as potential metallodrugs against Cisplatin resistance.
Dalton Trans, 45, 2016
7LTZ
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BU of 7ltz by Molmil
Bruton's tyrosine kinase in complex with compound 51
分子名称: 1-~{tert}-butyl-~{N}-[(5~{R})-8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxetan-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]-1,2,3-triazole-4-carboxamide, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, ...
著者Metrick, C.M, Marcotte, D.J.
登録日2021-02-20
公開日2022-01-12
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 65, 2022
5VEF
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BU of 5vef by Molmil
PAK4 kinase domain in complex with fasudil
分子名称: 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, ACETATE ION, Serine/threonine-protein kinase PAK 4
著者Zhang, E.Y, Ha, B.H, Boggon, T.J.
登録日2017-04-04
公開日2017-10-18
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献PAK4 crystal structures suggest unusual kinase conformational movements.
Biochim. Biophys. Acta, 1866, 2018
7LLL
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BU of 7lll by Molmil
Exendin-4-bound Glucagon-Like Peptide-1 (GLP-1) Receptor in complex with Gs protein
分子名称: Exendin-4, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Wootten, D, Sexton, P.M, Belousoff, M.J, Danev, R, Zhang, X, Khoshouei, M, Venugopal, H.
登録日2021-02-04
公開日2022-01-12
最終更新日2025-06-04
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Dynamics of GLP-1R peptide agonist engagement are correlated with kinetics of G protein activation.
Nat Commun, 13, 2022
5VIO
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BU of 5vio by Molmil
Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 13)
分子名称: 4-methoxy-N~1~-methyl-N~3~-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 5
著者Jasti, J, Chang, J, Kurumbail, R.
登録日2017-04-17
公開日2018-01-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Rational approach to highly potent and selective apoptosis signal-regulating kinase 1 (ASK1) inhibitors.
Eur J Med Chem, 145, 2017
7LL5
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BU of 7ll5 by Molmil
High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to PN5-150.
分子名称: 1,2-ETHANEDIOL, Tyrosine-protein kinase JAK2, {1-(ethylsulfonyl)-3-[4-(2-{[4-(1-methylpiperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-3-yl}acetonitrile
著者Karim, M.R, Schonbrunn, E.
登録日2021-02-03
公開日2022-01-12
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to PN5-150.
To Be Published
5ISE
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BU of 5ise by Molmil
Crystal structure of mouse CARM1 in complex with inhibitor SA0649
分子名称: 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ...
著者Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J.
登録日2016-03-15
公開日2017-03-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of mouse CARM1 in complex with SAH at 1.8 Angstroms resolution
To Be Published
7LSQ
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BU of 7lsq by Molmil
The Crystal Structure of Q108K:K40E:T53A:R58W:Q38F:Q4F:Y19W Mutant of HCRBPII Bound with LizFluor Chromophore Showing Excited State Intermolecular Proton Transfer
分子名称: 4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}-N,N-dimethylaniline, ACETATE ION, Retinol-binding protein 2
著者Ghanbarpour, A, Geiger, J.
登録日2021-02-18
公開日2022-01-12
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.67130542 Å)
主引用文献Design of Large Stokes Shift Fluorescent Proteins Based on Excited State Proton Transfer of an Engineered Photobase.
J.Am.Chem.Soc., 143, 2021
5VJC
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BU of 5vjc by Molmil
TOG-tubulin binding specificity promotes microtubule dynamics and mitotic spindle formation
分子名称: Protein mini spindles
著者Byrnes, A.E, Slep, K.C.
登録日2017-04-19
公開日2017-05-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献TOG-tubulin binding specificity promotes microtubule dynamics and mitotic spindle formation.
J. Cell Biol., 216, 2017
5IIR
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BU of 5iir by Molmil
NMR Structures Show Unwinding of the GCN4p Coiled Coil Superhelix Accompanying Disruption of Ion Pairs at Acidic pH
分子名称: General control protein GCN4
著者Brady, M.R, Kaplan, A.R, Alexandrescu, A.T.
登録日2016-03-01
公開日2017-03-15
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Nuclear Magnetic Resonance Structures of GCN4p Are Largely Conserved When Ion Pairs Are Disrupted at Acidic pH but Show a Relaxation of the Coiled Coil Superhelix.
Biochemistry, 56, 2017
7M1E
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BU of 7m1e by Molmil
Structural and functional studies about scorpine showed the presence of blocking channel and cytolytic activities as well as two different structural domains
分子名称: Scorpine
著者del Rio, J.F, Lopez, A.E, Titaux, G.
登録日2021-03-12
公開日2022-01-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and functional studies of scorpine: A channel blocker and cytolytic peptide.
Toxicon, 222, 2022
5VFB
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BU of 5vfb by Molmil
1.36 Angstrom Resolution Crystal Structure of Malate Synthase G from Pseudomonas aeruginosa in Complex with Glycolic Acid.
分子名称: CHLORIDE ION, GLYCOLIC ACID, Malate synthase G, ...
著者Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-04-07
公開日2017-04-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献1.36 Angstrom Resolution Crystal Structure of Malate Synthase G from Pseudomonas aeruginosa in Complex with Glycolic Acid.
To Be Published
7LII
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BU of 7lii by Molmil
Thermotoga maritima Encapsulin Nanocompartment Pore Mutant S7D
分子名称: Maritimacin, RIBOFLAVIN
著者Andreas, M.P, Adamson, L, Tasneem, N, Close, W, Giessen, T, Lau, Y.H.
登録日2021-01-27
公開日2022-02-09
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.55 Å)
主引用文献Pore structure controls stability and molecular flux in engineered protein cages.
Sci Adv, 8, 2022
5VFZ
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BU of 5vfz by Molmil
Integrase from mycobacterium phage Brujita
分子名称: ACETATE ION, GLYCEROL, Gp33, ...
著者VanDemark, A.P, Lunt, B, Hatfull, G.F.
登録日2017-04-10
公開日2018-04-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.847 Å)
主引用文献Integrase from mycobacterium phage Brujita
To Be Published
5IK3
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BU of 5ik3 by Molmil
Crystal structure of anti-gliadin 1002-1E03 Fab fragment
分子名称: 1E03 Fab fragment heavy chain, 1E03 Fab fragment light chain, SULFATE ION
著者Snir, O, Chen, X, Gidoni, M, du Pre, M.F, Zhao, Y, Steinsbo, O, Lundin, K.E, Yaari, G, Sollid, L.M.
登録日2016-03-03
公開日2017-03-15
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Stereotyped antibody responses target posttranslationally modified gluten in celiac disease.
JCI Insight, 2, 2017
7LIL
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BU of 7lil by Molmil
Thermotoga maritima Encapsulin Nanocompartment Pore Mutant SE3
分子名称: Maritimacin, RIBOFLAVIN
著者Andreas, M.P, Adamson, L, Tasneem, N, Close, W, Giessen, T, Lau, Y.H.
登録日2021-01-27
公開日2022-02-09
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Pore structure controls stability and molecular flux in engineered protein cages.
Sci Adv, 8, 2022
5VG7
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BU of 5vg7 by Molmil
Crystal Structure of the R503Q missense variant of human PGM1
分子名称: GLYCEROL, MAGNESIUM ION, Phosphoglucomutase-1, ...
著者Stiers, K.M, Beamer, L.J.
登録日2017-04-10
公開日2018-06-20
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.95000327 Å)
主引用文献A Hotspot for Disease-Associated Variants of Human PGM1 Is Associated with Impaired Ligand Binding and Loop Dynamics.
Structure, 26, 2018
1SFG
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BU of 1sfg by Molmil
BINDING OF HEXA-N-ACETYLCHITOHEXAOSE: A POWDER DIFFRACTION STUDY
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LYSOZYME
著者Von Dreele, R.B.
登録日2004-02-19
公開日2004-03-02
最終更新日2024-10-30
実験手法POWDER DIFFRACTION
主引用文献Binding of N-acetylglucosamine oligosaccharides to hen egg-white lysozyme: a powder diffraction study.
Acta Crystallogr.,Sect.D, 61, 2005
5IKE
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BU of 5ike by Molmil
Crystal structure of mutant-D97N of peptidyl-tRNA hydrolase from Vibrio cholerae
分子名称: Peptidyl-tRNA hydrolase
著者Shahid, S, Kabra, A, Pal, R.K, Arora, A.
登録日2016-03-03
公開日2017-03-08
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Unraveling the stereochemical and dynamic aspects of the catalytic site of bacterial peptidyl-tRNA hydrolase.
RNA, 23, 2017

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