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6MX9
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BU of 6mx9 by Molmil
Lysozyme bound to 3-Aminophenol
Descriptor: 1,2-ETHANEDIOL, 3-aminophenol, BENZAMIDINE, ...
Authors:Blackburn, A, Partowmah, S.H, Brennan, H.M, Mestizo, K.E, Stivala, C.D, Petreczky, J, Perez, A, Horn, A, McSweeney, S.
Deposit date:2018-10-30
Release date:2018-12-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.35 Å)
Cite: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
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 25S rRNA, 5.8S rRNA, ...
Authors:Sekulski, K, Cruz, V.E, Weirich, C.S, Erzberger, J.P.
Deposit date:2022-04-19
Release date:2023-03-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.43 Å)
Cite: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
Descriptor: 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
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2022-08-29
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-177
To Be Published
6MRJ
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BU of 6mrj by Molmil
Crystal structure of H.pylori NikR in complex with DNA
Descriptor: DNA (36-MER), MAGNESIUM ION, NICKEL (II) ION, ...
Authors:Pozharski, E, de Serrano, V.
Deposit date:2018-10-13
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of H.pylori NikR in complex with DNA
To Be Published
5N87
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BU of 5n87 by Molmil
TTK kinase domain in complex with NTRC 0066-0
Descriptor: 2,5,8,11-TETRAOXATRIDECANE, Dual specificity protein kinase TTK, SODIUM ION, ...
Authors:Uitdehaag, J, Willemsen-Seegers, N, Sterrenburg, J.G, de Man, J, Buijsman, R.C, Zaman, G.J.R.
Deposit date:2017-02-23
Release date:2017-05-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
5K9H
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BU of 5k9h by Molmil
Crystal structure of a glycoside hydrolase 29 family member from an unknown rumen bacterium
Descriptor: 0940_GH29, GLYCEROL, SODIUM ION, ...
Authors:Summers, E.L, Arcus, V.L.
Deposit date:2016-05-31
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.029 Å)
Cite: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
Descriptor: Methylcarbamoylase mom
Authors:Silva, R.M.B, Slyvka, A, Lee, Y.J, Guan, C, Lund, S.R, Raleigh, E.A, Skowronek, K, Bochtler, M, Weigele, P.R.
Deposit date:2022-12-08
Release date:2023-12-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite: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
Descriptor: Caspase recruitment domain-containing protein 9
Authors:Holliday, M.J, Rohou, A, Arthur, C.P, Dueber, E.C, Fairbrother, W.J.
Deposit date:2018-11-13
Release date:2019-07-03
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4 Å)
Cite: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
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 25S rRNA, 5.8S rRNA, ...
Authors:Sekulski, K, Cruz, V.E, Weirich, C.S, Erzberger, J.P.
Deposit date:2022-04-13
Release date:2023-03-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.34 Å)
Cite: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
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 25S rRNA, 5.8S rRNA, ...
Authors:Sekulski, K, Cruz, V.E, Weirich, C.S, Erzberger, J.P.
Deposit date:2022-04-20
Release date:2023-03-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.44 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ...
Authors:Frandsen, K.E.H, Poulsen, J.-C.N, Tandrup, T, Lo Leggio, L.
Deposit date:2017-04-04
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.33 Å)
Cite: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
Descriptor: Protein TPR1, The rice D53 peptide (a.a. 794-808), ZINC ION
Authors:Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
Deposit date:2016-04-12
Release date:2017-07-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 1-[(2R)-4-(6-chloropyridazin-3-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one, MAGNESIUM ION, ...
Authors:White, S.W, Yun, M, Lee, R.E.
Deposit date:2022-03-22
Release date:2023-03-29
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite: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)
Descriptor: Multidrug resistance protein MexA, Multidrug resistance protein MexB, Outer membrane protein OprM
Authors:Tsutsumi, K, Yonehara, R, Nakagawa, A, Yamashita, E.
Deposit date:2018-10-30
Release date:2019-04-03
Last modified:2019-04-17
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 6-{4-[(4-cyclopropyl-2-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile, MAGNESIUM ION, ...
Authors:White, S.W, Yun, M, Lee, R.E.
Deposit date:2022-03-22
Release date:2023-03-29
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 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, ...
Authors:Leloup, N.O.L, Loessl, P, Meijer, D.H.M, Heck, A.J.R, Thies-Weesie, D.M.E, Janssen, B.J.C.
Deposit date:2017-04-07
Release date:2017-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: (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, ...
Authors:Gao, X, Hwang, T.
Deposit date:2023-12-04
Release date:2024-07-17
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite: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)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhang, Q.E, Acharya, P.
Deposit date:2023-10-12
Release date:2024-06-19
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:SARS-CoV-2 Omicron-XBB.1.5 3-RBD down Spike Protein Trimer consensus (S-GSAS-Omicron-XBB.1.5)
To Be Published
7UE5
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BU of 7ue5 by Molmil
PANK3 complex structure with compound PZ-3741
Descriptor: 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, ...
Authors:White, S.W, Yun, M, Lee, R.E.
Deposit date:2022-03-21
Release date:2023-03-29
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators.
J.Med.Chem., 67, 2024
6N5J
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BU of 6n5j by Molmil
FtsY-NG high-resolution
Descriptor: ACETATE ION, AMMONIUM ION, Signal recognition particle receptor FtsY
Authors:Ataide, S.F, Faoro, C.
Deposit date:2018-11-22
Release date:2019-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Structural insights into the G-loop dynamics of E. coli FtsY NG domain.
J.Struct.Biol., 208, 2019
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
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 25S rRNA, 5.8S rRNA, ...
Authors:Sekulski, K, Cruz, V.E, Weirich, C.S, Erzberger, J.P.
Deposit date:2022-05-10
Release date:2023-03-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.36 Å)
Cite:rRNA methylation by Spb1 regulates the GTPase activity of Nog2 during 60S ribosomal subunit assembly.
Nat Commun, 14, 2023
7UE4
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BU of 7ue4 by Molmil
PANK3 complex structure with compound PZ-3855
Descriptor: 1,2-ETHANEDIOL, 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one, ACETATE ION, ...
Authors:White, S.W, Yun, M, Lee, R.E.
Deposit date:2022-03-21
Release date:2023-03-29
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators.
J.Med.Chem., 67, 2024
8V6R
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BU of 8v6r by Molmil
Crystal structure of EcThsA in complex with ADPR
Descriptor: 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
Authors: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.
Deposit date:2023-12-02
Release date:2024-06-12
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structural characterization of macro domain-containing Thoeris antiphage defense systems.
Sci Adv, 10, 2024
7UE3
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BU of 7ue3 by Molmil
PANK3 complex structure with compound PZ-3804
Descriptor: 1,2-ETHANEDIOL, 6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, MAGNESIUM ION, ...
Authors:White, S.W, Yun, M, Lee, R.E.
Deposit date:2022-03-21
Release date:2023-03-29
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators.
J.Med.Chem., 67, 2024
6MUV
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BU of 6muv by Molmil
The structure of the Plasmodium falciparum 20S proteasome in complex with two PA28 activators
Descriptor: 20S proteasome alpha-1 subunit, 20S proteasome alpha-2 subunit, 20S proteasome alpha-3 subunit, ...
Authors:Metcalfe, R.D, Xie, S.C, Hanssen, E, Gillett, D.L, Leis, A.P, Tilley, L, Griffin, M.D.W.
Deposit date:2018-10-23
Release date:2019-08-07
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:The structure of the PA28-20S proteasome complex from Plasmodium falciparum and implications for proteostasis.
Nat Microbiol, 4, 2019

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数据于2024-10-16公开中

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