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6MX9
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BU of 6mx9 by Molmil
Lysozyme bound to 3-Aminophenol
分子名称: 1,2-ETHANEDIOL, 3-aminophenol, BENZAMIDINE, ...
著者Blackburn, A, Partowmah, S.H, Brennan, H.M, Mestizo, K.E, Stivala, C.D, Petreczky, J, Perez, A, Horn, A, McSweeney, S.
登録日2018-10-30
公開日2018-12-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献A simple technique to improve microcrystals using gel exclusion of nucleation inducing elements
To Be Published
7UQB
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BU of 7uqb by Molmil
Nucleoplasmic pre-60S intermediate of the Nog2 containing pre-rotation state from a SPB1-D52A strain with AlF4
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 25S rRNA, 5.8S rRNA, ...
著者Sekulski, K, Cruz, V.E, Weirich, C.S, Erzberger, J.P.
登録日2022-04-19
公開日2023-03-15
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.43 Å)
主引用文献rRNA methylation by Spb1 regulates the GTPase activity of Nog2 during 60S ribosomal subunit assembly.
Nat Commun, 14, 2023
8EAD
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BU of 8ead by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-177
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-{2-chloro-5-[(5-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]anilino}pyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide
著者Karim, M.R, Schonbrunn, E.
登録日2022-08-29
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-177
To Be Published
5N87
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BU of 5n87 by Molmil
TTK kinase domain in complex with NTRC 0066-0
分子名称: 2,5,8,11-TETRAOXATRIDECANE, Dual specificity protein kinase TTK, SODIUM ION, ...
著者Uitdehaag, J, Willemsen-Seegers, N, Sterrenburg, J.G, de Man, J, Buijsman, R.C, Zaman, G.J.R.
登録日2017-02-23
公開日2017-05-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
6MRJ
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BU of 6mrj by Molmil
Crystal structure of H.pylori NikR in complex with DNA
分子名称: DNA (36-MER), MAGNESIUM ION, NICKEL (II) ION, ...
著者Pozharski, E, de Serrano, V.
登録日2018-10-13
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of H.pylori NikR in complex with DNA
To Be Published
5K9H
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BU of 5k9h by Molmil
Crystal structure of a glycoside hydrolase 29 family member from an unknown rumen bacterium
分子名称: 0940_GH29, GLYCEROL, SODIUM ION, ...
著者Summers, E.L, Arcus, V.L.
登録日2016-05-31
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.029 Å)
主引用文献The structure of a glycoside hydrolase 29 family member from a rumen bacterium reveals unique, dual carbohydrate-binding domains.
Acta Crystallogr.,Sect.F, 72, 2016
8BV8
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BU of 8bv8 by Molmil
Crystal structure of the phage Mu protein Mom inactive mutant S124A
分子名称: Methylcarbamoylase mom
著者Silva, R.M.B, Slyvka, A, Lee, Y.J, Guan, C, Lund, S.R, Raleigh, E.A, Skowronek, K, Bochtler, M, Weigele, P.R.
登録日2022-12-08
公開日2023-12-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystal structure of the phage Mu protein Mom catalytic mutant S124A
To Be Published
6N2P
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BU of 6n2p by Molmil
Helical assembly of the CARD9 CARD
分子名称: Caspase recruitment domain-containing protein 9
著者Holliday, M.J, Rohou, A, Arthur, C.P, Dueber, E.C, Fairbrother, W.J.
登録日2018-11-13
公開日2019-07-03
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structures of autoinhibited and polymerized forms of CARD9 reveal mechanisms of CARD9 and CARD11 activation.
Nat Commun, 10, 2019
7UOO
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BU of 7uoo by Molmil
Nucleoplasmic pre-60S intermediate of the Nog2 containing pre-rotation state
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 25S rRNA, 5.8S rRNA, ...
著者Sekulski, K, Cruz, V.E, Weirich, C.S, Erzberger, J.P.
登録日2022-04-13
公開日2023-03-15
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.34 Å)
主引用文献rRNA methylation by Spb1 regulates the GTPase activity of Nog2 during 60S ribosomal subunit assembly.
Nat Commun, 14, 2023
7UQZ
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BU of 7uqz by Molmil
Nucleoplasmic pre-60S intermediate of the Nog2 containing pre-rotation state from a SPB1 D52A strain
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 25S rRNA, 5.8S rRNA, ...
著者Sekulski, K, Cruz, V.E, Weirich, C.S, Erzberger, J.P.
登録日2022-04-20
公開日2023-03-15
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.44 Å)
主引用文献rRNA methylation by Spb1 regulates the GTPase activity of Nog2 during 60S ribosomal subunit assembly.
Nat Commun, 14, 2023
5NLO
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BU of 5nlo by Molmil
Auxiliary activity 9
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ...
著者Frandsen, K.E.H, Poulsen, J.-C.N, Tandrup, T, Lo Leggio, L.
登録日2017-04-04
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Structural and electronic determinants of lytic polysaccharide monooxygenase reactivity on polysaccharide substrates.
Nat Commun, 8, 2017
5JA5
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BU of 5ja5 by Molmil
Crystal structure of the rice Topless related protein 2 (TPR2) N-terminal topless domain (1-209) L111A and L130A mutant in complex with rice D53 repressor EAR peptide motif
分子名称: Protein TPR1, The rice D53 peptide (a.a. 794-808), ZINC ION
著者Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
登録日2016-04-12
公開日2017-07-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A D53 repression motif induces oligomerization of TOPLESS corepressors and promotes assembly of a corepressor-nucleosome complex.
Sci Adv, 3, 2017
7UEP
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BU of 7uep by Molmil
PANK3 complex structure with compound PZ-3860
分子名称: 1,2-ETHANEDIOL, 1-[(2R)-4-(6-chloropyridazin-3-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one, MAGNESIUM ION, ...
著者White, S.W, Yun, M, Lee, R.E.
登録日2022-03-22
公開日2023-03-29
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators.
J.Med.Chem., 67, 2024
6IOK
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BU of 6iok by Molmil
Cryo-EM structure of multidrug efflux pump MexAB-OprM (0 degree state)
分子名称: Multidrug resistance protein MexA, Multidrug resistance protein MexB, Outer membrane protein OprM
著者Tsutsumi, K, Yonehara, R, Nakagawa, A, Yamashita, E.
登録日2018-10-30
公開日2019-04-03
最終更新日2019-04-17
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Structures of the wild-type MexAB-OprM tripartite pump reveal its complex formation and drug efflux mechanism.
Nat Commun, 10, 2019
7UEO
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BU of 7ueo by Molmil
PANK3 complex structure with compound PZ-3977
分子名称: 1,2-ETHANEDIOL, 6-{4-[(4-cyclopropyl-2-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile, MAGNESIUM ION, ...
著者White, S.W, Yun, M, Lee, R.E.
登録日2022-03-22
公開日2023-03-29
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators.
J.Med.Chem., 67, 2024
5NMR
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BU of 5nmr by Molmil
Monomeric mouse Sortilin extracellular domain
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, CALCIUM ION, ...
著者Leloup, N.O.L, Loessl, P, Meijer, D.H.M, Heck, A.J.R, Thies-Weesie, D.M.E, Janssen, B.J.C.
登録日2017-04-07
公開日2017-12-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Low pH-induced conformational change and dimerization of sortilin triggers endocytosed ligand release.
Nat Commun, 8, 2017
8V81
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BU of 8v81 by Molmil
Phosphorylated, ATP-bound, inhibitor 172-bound E1371Q human cystic fibrosis transmembrane conductance regulator
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 4-[(Z)-{(3M)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]benzoic acid, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Gao, X, Hwang, T.
登録日2023-12-04
公開日2024-07-17
最終更新日2024-08-21
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Allosteric inhibition of CFTR gating by CFTRinh-172 binding in the pore.
Nat Commun, 15, 2024
8UKD
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BU of 8ukd by Molmil
SARS-CoV-2 Omicron-XBB.1.5 3-RBD down Spike Protein Trimer consensus (S-GSAS-Omicron-XBB.1.5)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Zhang, Q.E, Acharya, P.
登録日2023-10-12
公開日2024-06-19
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献SARS-CoV-2 Omicron-XBB.1.5 3-RBD down Spike Protein Trimer consensus (S-GSAS-Omicron-XBB.1.5)
To Be Published
6N5J
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BU of 6n5j by Molmil
FtsY-NG high-resolution
分子名称: ACETATE ION, AMMONIUM ION, Signal recognition particle receptor FtsY
著者Ataide, S.F, Faoro, C.
登録日2018-11-22
公開日2019-10-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Structural insights into the G-loop dynamics of E. coli FtsY NG domain.
J.Struct.Biol., 208, 2019
7UE5
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BU of 7ue5 by Molmil
PANK3 complex structure with compound PZ-3741
分子名称: 6-[4-({4-[(2R)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, 6-[4-({4-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, MAGNESIUM ION, ...
著者White, S.W, Yun, M, Lee, R.E.
登録日2022-03-21
公開日2023-03-29
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators.
J.Med.Chem., 67, 2024
7V08
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BU of 7v08 by Molmil
Nucleoplasmic pre-60S intermediate of the Nog2 containing pre-rotation state from a Spb1 D52A suppressor 3 strain
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 25S rRNA, 5.8S rRNA, ...
著者Sekulski, K, Cruz, V.E, Weirich, C.S, Erzberger, J.P.
登録日2022-05-10
公開日2023-03-15
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.36 Å)
主引用文献rRNA methylation by Spb1 regulates the GTPase activity of Nog2 during 60S ribosomal subunit assembly.
Nat Commun, 14, 2023
8V6R
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BU of 8v6r by Molmil
Crystal structure of EcThsA in complex with ADPR
分子名称: Thoeris protein ThsA Macro domain-containing protein, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Shi, Y, Masic, V, Mosaiab, T, Goulart, C.C, Hartley-Tassell, L, Sorbello, M, Vasquez, E, Mishra, B.P, Holt, S, Gu, W, Kobe, B, Ve, T.
登録日2023-12-02
公開日2024-06-12
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structural characterization of macro domain-containing Thoeris antiphage defense systems.
Sci Adv, 10, 2024
7UE4
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BU of 7ue4 by Molmil
PANK3 complex structure with compound PZ-3855
分子名称: 1,2-ETHANEDIOL, 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one, ACETATE ION, ...
著者White, S.W, Yun, M, Lee, R.E.
登録日2022-03-21
公開日2023-03-29
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators.
J.Med.Chem., 67, 2024
7UE3
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BU of 7ue3 by Molmil
PANK3 complex structure with compound PZ-3804
分子名称: 1,2-ETHANEDIOL, 6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, MAGNESIUM ION, ...
著者White, S.W, Yun, M, Lee, R.E.
登録日2022-03-21
公開日2023-03-29
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators.
J.Med.Chem., 67, 2024
5JBG
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BU of 5jbg by Molmil
Crystal structure of chicken LGP2 with 5'ppp 26-mer hairpin RNA with 3' GG overhang and ADP-AlF4-Mg2+ at 2.0 A resolution.
分子名称: ADENOSINE-5'-DIPHOSPHATE, LGP2, MAGNESIUM ION, ...
著者Cusack, S, Uchikawa, E.
登録日2016-04-13
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Analysis of dsRNA Binding to Anti-viral Pattern Recognition Receptors LGP2 and MDA5.
Mol.Cell, 62, 2016

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