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6JHP
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BU of 6jhp by Molmil
Crystal structure of the glycoside hydrolase family 36 alpha-galactosidase from Paecilomyces thermophila
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-galactosidase
Authors:Liu, Y, Huang, P, Ma, J, Jiang, Z.
Deposit date:2019-02-18
Release date:2020-05-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.559 Å)
Cite:Crystal structure and phylogenetic analysis of the glycoside hydrolase family 36 alpha-galactosidase from Paecilomyces thermophila
To be published
7C7U
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BU of 7c7u by Molmil
Biofilm associated protein - BSP domain
Descriptor: Biofilm-associated surface protein, CALCIUM ION
Authors:Ma, J.F, Xu, Z.H, Zhang, Y.K, Cheng, X, Fan, S.L, Wang, J.W, Fang, X.Y.
Deposit date:2020-05-26
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural mechanism for modulation of functional amyloid and biofilm formation by Staphylococcal Bap protein switch.
Embo J., 40, 2021
7C7R
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BU of 7c7r by Molmil
Biofilm associated protein - B domain
Descriptor: Biofilm-associated surface protein, CALCIUM ION
Authors:Ma, J.F, Xu, Z.H, Zhang, Y.K, Cheng, X, Fan, S.L, Wang, J.W, Fang, X.Y.
Deposit date:2020-05-26
Release date:2021-05-12
Last modified:2021-07-28
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Structural mechanism for modulation of functional amyloid and biofilm formation by Staphylococcal Bap protein switch.
Embo J., 40, 2021
3T4H
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BU of 3t4h by Molmil
Crystal Structure of AlkB in complex with Fe(III) and N-Oxalyl-S-(3-nitrobenzyl)-L-cysteine
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, ...
Authors:Ma, J, Aik, W.S, McDonough, M.A, Schofield, C.J.
Deposit date:2011-07-26
Release date:2012-03-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase.
J.Med.Chem., 55, 2012
3U4S
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BU of 3u4s by Molmil
Histone Lysine demethylase JMJD2A in complex with T11C peptide substrate crosslinked to N-oxalyl-D-cysteine
Descriptor: HISTONE 3 TAIL ANALOG (T11C Peptide), Lysine-specific demethylase 4A, N-(carboxycarbonyl)-D-cysteine, ...
Authors:Ma, J, McDonough, M.A, Schofield, C.J.
Deposit date:2011-10-10
Release date:2012-02-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Linking of 2-Oxoglutarate and Substrate Binding Sites Enables Potent and Highly Selective Inhibition of JmjC Histone Demethylases.
Angew.Chem.Int.Ed.Engl., 51, 2012
7EEJ
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BU of 7eej by Molmil
Complex structure of glycoside hydrolase family 12 beta-1,3-1,4-glucanase with cellobiose
Descriptor: GLYCEROL, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose, glycoside hydrolase family 12 beta-1,3-1,4-glucanase
Authors:Jiang, Z.Q, Ma, J.W.
Deposit date:2021-03-18
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.47798049 Å)
Cite:Structural and biochemical insights into the substrate-binding mechanism of a glycoside hydrolase family 12 beta-1,3-1,4-glucanase from Chaetomium sp.
J.Struct.Biol., 213, 2021
7EEE
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BU of 7eee by Molmil
Complex structure of glycoside hydrolase family 12 beta-1,3-1,4-glucanase with gentiobiose
Descriptor: GLYCEROL, beta-D-mannopyranose-(1-6)-beta-D-mannopyranose, glycoside hydrolase family 12 beta-1,3-1,4-glucanase
Authors:Jiang, Z.Q, Ma, J.W.
Deposit date:2021-03-18
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.660792 Å)
Cite:Structural and biochemical insights into the substrate-binding mechanism of a glycoside hydrolase family 12 beta-1,3-1,4-glucanase from Chaetomium sp.
J.Struct.Biol., 213, 2021
7KLZ
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BU of 7klz by Molmil
Structure of SPOP MATH domain in complex with a Geminin peptide
Descriptor: Geminin peptide, PHOSPHATE ION, Speckle-type POZ protein
Authors:Cui, G, Botuyan, M.V, Mer, G.
Deposit date:2020-11-01
Release date:2021-08-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:SPOP mutation induces replication over-firing by impairing Geminin ubiquitination and triggers replication catastrophe upon ATR inhibition.
Nat Commun, 12, 2021
8JGA
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BU of 8jga by Molmil
Cryo-EM structure of Mi3 fused with FKBP
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP1A,2-dehydro-3-deoxyphosphogluconate aldolase/4-hydroxy-2-oxoglutarate aldolase
Authors:Zhang, H.W, Kang, W, Xue, C.
Deposit date:2023-05-20
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Dynamic Metabolons Using Stimuli-Responsive Protein Cages.
J.Am.Chem.Soc., 146, 2024
8JGC
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BU of 8jgc by Molmil
Cryo-EM structure of Mi3 fused with LOV2
Descriptor: LOV domain-containing protein,2-dehydro-3-deoxyphosphogluconate aldolase/4-hydroxy-2-oxoglutarate aldolase
Authors:Zhang, H.W, Kang, W, Xue, C.
Deposit date:2023-05-20
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Dynamic Metabolons Using Stimuli-Responsive Protein Cages.
J.Am.Chem.Soc., 146, 2024
2AMD
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BU of 2amd by Molmil
Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N9
Descriptor: 3C-like proteinase, N-(3-FUROYL)-D-VALYL-L-VALYL-N~1~-((1R,2Z)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-D-LEUCINAMIDE
Authors:Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z.
Deposit date:2005-08-09
Release date:2005-09-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
2AMQ
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BU of 2amq by Molmil
Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N3
Descriptor: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
Authors:Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z.
Deposit date:2005-08-10
Release date:2005-09-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
2AMP
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BU of 2amp by Molmil
Crystal Structure Of Porcine Transmissible Gastroenteritis Virus Mpro in Complex with an Inhibitor N1
Descriptor: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
Authors:Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z.
Deposit date:2005-08-10
Release date:2005-09-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
2D2D
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BU of 2d2d by Molmil
Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor I2
Descriptor: 3C-like proteinase, ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-BUTOXYCARBONYL)-L-VALYL]AMINO}-2-PHENYLETHANOYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE
Authors:Yang, H, Bartlam, M, Xue, X, Yang, K, Liang, W, Ding, Y, Rao, Z.
Deposit date:2005-09-08
Release date:2005-09-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
8U2D
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BU of 8u2d by Molmil
Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide
Descriptor: (3R)-2-[N-(1H-indazole-5-carbonyl)-3-methyl-D-phenylalanyl]-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Gajewski, S, Clifton, M.C.
Deposit date:2023-09-05
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies.
J.Med.Chem., 67, 2024
8U2E
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BU of 8u2e by Molmil
Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide
Descriptor: (2S)-6-fluoro-5-[(3S)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-(4-methylpiperazine-1-carbonyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Gajewski, S, Clifton, M.C.
Deposit date:2023-09-05
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies.
J.Med.Chem., 67, 2024
1WOF
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BU of 1wof by Molmil
Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor N1
Descriptor: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
Authors:Yang, H, Bartlam, M, Xue, X, Yang, K, Liang, W, Rao, Z.
Deposit date:2004-08-18
Release date:2005-08-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
5HFJ
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BU of 5hfj by Molmil
crystal structure of M1.HpyAVI-SAM complex
Descriptor: Adenine specific DNA methyltransferase (DpnA), S-ADENOSYLMETHIONINE
Authors:Ma, B, Liu, W, Zhang, H.
Deposit date:2016-01-07
Release date:2016-11-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Biochemical and structural characterization of a DNA N6-adenine methyltransferase from Helicobacter pylori
Oncotarget, 7, 2016
5HEK
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BU of 5hek by Molmil
crystal structure of M1.HpyAVI
Descriptor: Adenine specific DNA methyltransferase (DpnA)
Authors:Ma, B, Zhang, H, Liu, W.
Deposit date:2016-01-06
Release date:2016-11-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Biochemical and structural characterization of a DNA N6-adenine methyltransferase from Helicobacter pylori
Oncotarget, 7, 2016
6A6J
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BU of 6a6j by Molmil
Crystal structure of Zebra fish Y-box protein1 (YB-1) Cold-shock domain in complex with 6mer m5C RNA
Descriptor: RNA (5'-R(P*CP*AP*UP*(5MC)P*U)-3'), ZINC ION, Zebra fish Y-box protein1 (YB-1)
Authors:Zhang, M.M, Wu, B.X, Huang, Y, Ma, J.B.
Deposit date:2018-06-28
Release date:2019-06-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.255 Å)
Cite:RNA 5-Methylcytosine Facilitates the Maternal-to-Zygotic Transition by Preventing Maternal mRNA Decay.
Mol.Cell, 75, 2019
4TTH
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BU of 4tth by Molmil
Crystal structure of a CDK6/Vcyclin complex with inhibitor bound
Descriptor: 9-cyclopentyl-N-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine, Cyclin homolog, Cyclin-dependent kinase 6
Authors:Piper, D.E, Walker, N, Wang, Z.
Deposit date:2014-06-20
Release date:2014-08-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of AMG 925, a FLT3 and CDK4 dual kinase inhibitor with preferential affinity for the activated state of FLT3.
J.Med.Chem., 57, 2014
1FB9
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BU of 1fb9 by Molmil
EFFECTS OF S-SULFONATION ON THE SOLUTION STRUCTURE OF SALMON CALCITONIN
Descriptor: CALCITONIN ANALOGUE
Authors:Wu, H, Mao, J, Wang, Y, Dou, H.
Deposit date:2000-07-14
Release date:2003-07-01
Last modified:2018-06-27
Method:SOLUTION NMR
Cite:Solution structure and biological activity of recombinant salmon calcitonin S-sulfonated analog
Biochem.Biophys.Res.Commun., 306, 2003
5Y6P
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BU of 5y6p by Molmil
Structure of the phycobilisome from the red alga Griffithsia pacifica
Descriptor: ApcD, ApcF, LC, ...
Authors:Zhang, J, Ma, J.F, Liu, D.S, Sun, S, Sui, S.F.
Deposit date:2017-08-13
Release date:2017-11-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of phycobilisome from the red alga Griffithsia pacifica
Nature, 551, 2017
4P1R
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BU of 4p1r by Molmil
Crystal Structure of PDE10A with Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors
Descriptor: GLYCEROL, N-[4-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)phenyl]-5-methylpyridin-2-amine, SULFATE ION, ...
Authors:Chmait, S.
Deposit date:2014-02-27
Release date:2014-07-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.243 Å)
Cite:Discovery of Novel Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
Acs Med.Chem.Lett., 5, 2014
8Y4U
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BU of 8y4u by Molmil
Crystal structure of a His1 from oryza sativa
Descriptor: FE (III) ION, Fe(II)/2-oxoglutarate-dependent oxygenase
Authors:Wang, N, Ma, J.M, Shibing, H, Beibei, Y, He, Z, Dandan, L.
Deposit date:2024-01-30
Release date:2024-02-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of HPPD inhibitor sensitive protein from Oryza sativa.
Biochem.Biophys.Res.Commun., 704, 2024

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