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2M09
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BU of 2m09 by Molmil
Structure, phosphorylation and U2AF65 binding of the Nterminal Domain of splicing factor 1 during 3 splice site Recognition
Descriptor: Splicing factor 1
Authors:Madl, T, Sattler, M, Zhang, Y, Bagdiul, I, Kern, T, Kang, H, Zou, P, Maeusbacher, N, Sieber, S.A, Kraemer, A.
Deposit date:2012-10-22
Release date:2013-01-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure, phosphorylation and U2AF65 binding of the N-terminal domain of splicing factor 1 during 3'-splice site recognition.
Nucleic Acids Res., 41, 2013
2M0G
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BU of 2m0g by Molmil
Structure, phosphorylation and U2AF65 binding of the Nterminal Domain of splicing factor 1 during 3 splice site Recognition
Descriptor: Splicing factor 1, Splicing factor U2AF 65 kDa subunit
Authors:Madl, T, Sattler, M, Zhang, Y, Bagdiul, I, Kern, T, Kang, H, Zou, P, Maeusbacher, N, Sieber, S.A, Kraemer, A.
Deposit date:2012-10-25
Release date:2013-01-30
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure, phosphorylation and U2AF65 binding of the N-terminal domain of splicing factor 1 during 3'-splice site recognition.
Nucleic Acids Res., 41, 2013
8HPB
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BU of 8hpb by Molmil
NMR Structure of OsCIE1-Ubox S237D mutant
Descriptor: U-box domain-containing protein 12
Authors:Zhang, Y, Yu, C.Z, Lan, W.X.
Deposit date:2022-12-12
Release date:2023-12-20
Last modified:2024-06-12
Method:SOLUTION NMR
Cite:Release of a ubiquitin brake activates OsCERK1-triggered immunity in rice.
Nature, 629, 2024
8HQB
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BU of 8hqb by Molmil
NMR Structure of OsCIE1-Ubox
Descriptor: U-box domain-containing protein 12
Authors:Zhang, Y, Yu, C.Z, Lan, W.X.
Deposit date:2022-12-13
Release date:2023-12-20
Last modified:2024-06-12
Method:SOLUTION NMR
Cite:Release of a ubiquitin brake activates OsCERK1-triggered immunity in rice.
Nature, 629, 2024
5HYN
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BU of 5hyn by Molmil
Structure of Human Polycomb Repressive Complex 2 (PRC2) with oncogenic histone H3K27M peptide
Descriptor: H3K27M, Histone-lysine N-methyltransferase EZH2, JARID2 K116me3, ...
Authors:Zhang, Y, Justin, N, Wilson, J.R, Gamblin, S.J.
Deposit date:2016-02-01
Release date:2016-05-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural basis of oncogenic histone H3K27M inhibition of human polycomb repressive complex 2.
Nat Commun, 7, 2016
8GUG
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BU of 8gug by Molmil
Structure of VPA0770 toxin bound to VPA0769 antitoxin in Vibrio parahaemolyticus
Descriptor: DUF2384 domain-containing protein, RES domain-containing protein
Authors:Song, X.J, Zhang, Y, Xu, Y.Y, Lin, Z.
Deposit date:2022-09-12
Release date:2023-07-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural insights of the toxin-antitoxin system VPA0770-VPA0769 in Vibrio parahaemolyticus.
Int.J.Biol.Macromol., 242, 2023
3TH8
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BU of 3th8 by Molmil
Structure of E. coli undecaprenyl diphosphate synthase complexed with BPH-1063
Descriptor: (2Z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid, Undecaprenyl pyrophosphate synthase
Authors:Cao, R, Zhu, W, Zhang, Y, Oldfield, E.
Deposit date:2011-08-18
Release date:2012-07-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.114 Å)
Cite:HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.
ACS Med Chem Lett, 3, 2012
8VQ4
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BU of 8vq4 by Molmil
CDK2-CyclinE1 in complex with allosteric inhibitor I-125A.
Descriptor: (8R)-6-(1-benzyl-1H-pyrazole-4-carbonyl)-N-[(2S,3R)-3-(2-cyclohexylethoxy)-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
Authors:Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B.
Deposit date:2024-01-17
Release date:2024-01-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An allosteric cyclin E-CDK2 site mapped by paralog hopping with covalent probes.
Nat.Chem.Biol., 2024
8VQ3
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BU of 8vq3 by Molmil
CDK2-CyclinE1 in complex with allosteric inhibitor I-198.
Descriptor: (8R)-N-[(2S,3R)-3-(cyclohexylmethoxy)-1-(morpholin-4-yl)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-6-(1,3-thiazole-5-carbonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
Authors:Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B.
Deposit date:2024-01-17
Release date:2024-01-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:An allosteric cyclin E-CDK2 site mapped by paralog hopping with covalent probes.
Nat.Chem.Biol., 2024
3V7T
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BU of 3v7t by Molmil
Crystal Structure of Human Beta-Tryptase Complexed with a Synthetic Inhibitor with a Tropanylamide Scaffold
Descriptor: CARBONATE ION, TPSB2 protein, {(3-exo)-3-[5-(aminomethyl)-2-fluorophenyl]-8-azabicyclo[3.2.1]oct-8-yl}(4-bromo-3-methyl-5-propoxythiophen-2-yl)methanone
Authors:Zhang, Y, Colonna, C, Michot, N.
Deposit date:2011-12-22
Release date:2012-03-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:A beta-tryptase inhibitor with a tropanylamide scaffold to improve in vitro stability and to lower hERG channel binding affinity
Bioorg.Med.Chem.Lett., 22, 2012
7DTK
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BU of 7dtk by Molmil
Crystal structure of the RecA1 domain of RNA helicase CGH-1 in C. elegans
Descriptor: ATP-dependent RNA helicase cgh-1, GLYCEROL
Authors:Hong, J.J, Lv, M.Q, Zhang, Y.
Deposit date:2021-01-05
Release date:2021-03-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Structural and biochemical insights into the recognition of RNA helicase CGH-1 by CAR-1 in C. elegans.
Biochem.Biophys.Res.Commun., 549, 2021
8JE4
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BU of 8je4 by Molmil
Crystal structure of LimF prenyltransferase (H239G/W273T mutant) bound with the thiodiphosphate moiety of farnesyl S-thiolodiphosphate (FSPP)
Descriptor: MAGNESIUM ION, TRIHYDROGEN THIODIPHOSPHATE, prenyltransferase, ...
Authors:Hamada, K, Oguni, A, Zhang, Y, Satake, M, Goto, Y, Suga, H, Ogata, K, Sengoku, T.
Deposit date:2023-05-15
Release date:2023-11-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Switching Prenyl Donor Specificities of Cyanobactin Prenyltransferases.
J.Am.Chem.Soc., 145, 2023
8H7G
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BU of 8h7g by Molmil
Cryo-EM structure of the human SAGA complex
Descriptor: Ataxin-7, STAGA complex 65 subunit gamma, Splicing factor 3B subunit 3, ...
Authors:Huang, J, Zhang, Y.
Deposit date:2022-10-20
Release date:2022-12-14
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM structure of human SAGA transcriptional coactivator complex.
Cell Discov, 8, 2022
7VMY
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BU of 7vmy by Molmil
Crystal structure of LimF prenyltransferase bound with GSPP
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GERANYL S-THIOLODIPHOSPHATE, LynF/TruF/PatF family peptide O-prenyltransferase, ...
Authors:Hamada, K, Kobayashi, S, Okada, C, Zhang, Y, Inoue, S, Goto, Y, Suga, H, Ogata, K, Sengoku, T.
Deposit date:2021-10-09
Release date:2022-08-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:LimF is a versatile prenyltransferase for histidine-C-geranylation on diverse non-natural substrates
Nat Catal, 2022
7VMW
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BU of 7vmw by Molmil
Crystal structure of LimF prenyltransferase bound with a peptide substrate and GSPP
Descriptor: GERANYL S-THIOLODIPHOSPHATE, LynF/TruF/PatF family peptide O-prenyltransferase, MAGNESIUM ION, ...
Authors:Hamada, K, Kobayashi, S, Okada, C, Zhang, Y, Inoue, S, Goto, Y, Suga, H, Ogata, K, Sengoku, T.
Deposit date:2021-10-09
Release date:2022-08-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:LimF is a versatile prenyltransferase for histidine-C-geranylation on diverse non-natural substrates
Nat Catal, 2022
7EU8
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BU of 7eu8 by Molmil
Structure of the human GluN1-GluN2B NMDA receptor in complex with S-ketamine,glycine and glutamate
Descriptor: (2~{S})-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ...
Authors:Zhang, T, Zhang, Y, Zhu, S.
Deposit date:2021-05-16
Release date:2021-07-28
Last modified:2022-10-26
Method:ELECTRON MICROSCOPY (4.07 Å)
Cite:Structural basis of ketamine action on human NMDA receptors.
Nature, 596, 2021
7D6F
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BU of 7d6f by Molmil
The crystal structure of ARMS-PBM/MAGI2-PDZ4
Descriptor: GLYCEROL, Kinase D-interacting substrate of 220 kDa, Membrane-associated guanylate kinase, ...
Authors:Ye, J, Zhang, Y, Zhong, Z, Wang, C.
Deposit date:2020-09-30
Release date:2020-11-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:Crystal structure of the PDZ4 domain of MAGI2 in complex with PBM of ARMS reveals a canonical PDZ recognition mode.
Neurochem.Int., 149, 2021
4URT
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BU of 4urt by Molmil
The crystal structure of a fragment of netrin-1 in complex with FN5- FN6 of DCC
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Finci, L.I, Krueger, N, Sun, X, Zhang, J, Chegkazi, M, Wu, Y, Schenk, G, Mertens, H.D.T, Svergun, D.I, Zhang, Y, Wang, J.-h, Meijers, R.
Deposit date:2014-07-02
Release date:2014-09-10
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The Crystal Structure of Netrin-1 in Complex with Dcc Reveals the Bi-Functionality of Netrin-1 as a Guidance Cue
Neuron, 83, 2014
3ZJT
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BU of 3zjt by Molmil
Ternary complex of E.coli leucyl-tRNA synthetase, tRNA(Leu)574 and the benzoxaborole AN3017 in the editing conformation
Descriptor: LEUCYL-TRNA SYNTHETASE, MAGNESIUM ION, TRNALEU5 UAA ISOACCEPTOR
Authors:Cusack, S, Palencia, A, Crepin, T, Hernandez, V, Akama, T, Baker, S.J, Bu, W, Feng, L, Freund, Y.R, Liu, L, Meewan, M, Mohan, M, Mao, W, Rock, F.L, Sexton, H, Sheoran, A, Zhang, Y, Zhang, Y, Zhou, Y, Nieman, J.A, Anugula, M.R, Keramane, E.M, Savariraj, K, Reddy, D.S, Sharma, R, Subedi, R, Singh, R, OLeary, A, Simon, N.L, DeMarsh, P.L, Mushtaq, S, Warner, M, Livermore, D.M, Alley, M.R.K, Plattner, J.J.
Deposit date:2013-01-18
Release date:2013-04-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
3ZJV
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BU of 3zjv by Molmil
Ternary complex of E .coli leucyl-tRNA synthetase, tRNA(Leu) and the benzoxaborole AN3213 in the editing conformation
Descriptor: LEUCINE--TRNA LIGASE, TRNALEU5 UAA ISOACCEPTOR
Authors:Cusack, S, Palencia, A, Crepin, T, Hernandez, V, Akama, T, Baker, S.J, Bu, W, Feng, L, Freund, Y.R, Liu, L, Meewan, M, Mohan, M, Mao, W, Rock, F.L, Sexton, H, Sheoran, A, Zhang, Y, Zhang, Y, Zhou, Y, Nieman, J.A, Anugula, M.R, Keramane, E.M, Savariraj, K, Reddy, D.S, Sharma, R, Subedi, R, Singh, R, OLeary, A, Simon, N.L, DeMarsh, P.L, Mushtaq, S, Warner, M, Livermore, D.M, Alley, M.R.K, Plattner, J.J.
Deposit date:2013-01-18
Release date:2013-04-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
3ZJU
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BU of 3zju by Molmil
Ternary complex of E .coli leucyl-tRNA synthetase, tRNA(Leu) and the benzoxaborole AN3016 in the editing conformation
Descriptor: LEUCYL-TRNA SYNTHETASE, MAGNESIUM ION, TRNALEU5 UAA ISOACCEPTOR
Authors:Cusack, S, Palencia, A, Crepin, T, Hernandez, V, Akama, T, Baker, S.J, Bu, W, Feng, L, Freund, Y.R, Liu, L, Meewan, M, Mohan, M, Mao, W, Rock, F.L, Sexton, H, Sheoran, A, Zhang, Y, Zhang, Y, Zhou, Y, Nieman, J.A, Anugula, M.R, Keramane, E.M, Savariraj, K, Reddy, D.S, Sharma, R, Subedi, R, Singh, R, OLeary, A, Simon, N.L, DeMarsh, P.L, Mushtaq, S, Warner, M, Livermore, D.M, Alley, M.R.K, Plattner, J.J.
Deposit date:2013-01-18
Release date:2013-04-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
6EDR
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BU of 6edr by Molmil
Crystal Structure of Human CD38 in Complex with 4'-Thioribose NAD+
Descriptor: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)thiolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Authors:Dai, Z, Zhang, X.N, Nasertorabi, F, Cheng, Q, Pei, H, Louie, S.G, Stevens, C.R, Zhang, Y.
Deposit date:2018-08-10
Release date:2018-11-21
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Facile chemoenzymatic synthesis of a novel stable mimic of NAD.
Chem Sci, 9, 2018
5OV3
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BU of 5ov3 by Molmil
Structure of the RbBP5 beta-propeller domain
Descriptor: Retinoblastoma-binding protein 5, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL
Authors:Mittal, A, Zhang, Y, Gamblin, S.J, Wilson, J.R.
Deposit date:2017-08-27
Release date:2018-03-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The structure of the RbBP5 beta-propeller domain reveals a surface with potential nucleic acid binding sites.
Nucleic Acids Res., 46, 2018
4N26
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BU of 4n26 by Molmil
Crystal structure of Protein Arginine Deiminase 2 (500 uM Ca2+)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R.
Deposit date:2013-10-04
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.943 Å)
Cite:Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
4N2L
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BU of 4n2l by Molmil
Crystal structure of Protein Arginine Deiminase 2 (Q350A, 10 mM Ca2+)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R.
Deposit date:2013-10-05
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015

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