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7WA8
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BU of 7wa8 by Molmil
Strigolactone receptors in Striga ShHTL7
Descriptor: Hyposensitive to light 7
Authors:Wang, Y, Yao, R.
Deposit date:2021-12-12
Release date:2022-01-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Molecular basis for high ligand sensitivity and selectivity of strigolactone receptors in Striga.
Plant Physiology, Volume 185, 2021
5DO2
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BU of 5do2 by Molmil
Complex structure of MERS-RBD bound with 4C2 antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4C2 heavy chain, 4C2 light chain, ...
Authors:Li, Y, Wan, Y, Liu, P, Zhao, J, Lu, G, Qi, J, Wang, Q, Lu, X, Wu, Y, Liu, W, Yuen, K.Y, Perlman, S, Gao, G.F, Yan, J.
Deposit date:2015-09-10
Release date:2015-10-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.409 Å)
Cite:A humanized neutralizing antibody against MERS-CoV targeting the receptor-binding domain of the spike protein.
Cell Res., 25, 2015
1YGJ
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BU of 1ygj by Molmil
Crystal Structure of Pyridoxal Kinase in Complex with Roscovitine and Derivatives
Descriptor: (2R)-2-({6-[BENZYL(METHYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-1-OL, Pyridoxal kinase
Authors:Tang, L, Li, M.-H, Cao, P, Wang, F, Chang, W.-R, Bach, S, Reinhardt, J, Ferandin, Y, Koken, M, Galons, H, Wan, Y, Gray, N, Meijer, L, Jiang, T, Liang, D.-C.
Deposit date:2005-01-05
Release date:2005-07-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of pyridoxal kinase in complex with roscovitine and derivatives
J.Biol.Chem., 280, 2005
1YGK
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BU of 1ygk by Molmil
Crystal Structure of Pyridoxal Kinase in Complex with Roscovitine and Derivatives
Descriptor: Pyridoxal kinase, R-ROSCOVITINE
Authors:Tang, L, Li, M.-H, Cao, P, Wang, F, Chang, W.-R, Bach, S, Reinhardt, J, Ferandin, Y, Koken, M, Galons, H, Wan, Y, Gray, N, Meijer, L, Jiang, T, Liang, D.-C.
Deposit date:2005-01-05
Release date:2005-07-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of pyridoxal kinase in complex with roscovitine and derivatives
J.Biol.Chem., 280, 2005
1YHJ
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BU of 1yhj by Molmil
Crystal Structure of Pyridoxal Kinase in Complex with Roscovitine and Derivatives
Descriptor: (2R)-2-{[6-(BENZYLOXY)-9-ISOPROPYL-9H-PURIN-2-YL]AMINO}BUTAN-1-OL, Pyridoxal Kinase
Authors:Tang, L, Li, M.-H, Cao, P, Wang, F, Chang, W.-R, Bach, S, Reinhardt, J, Ferandin, Y, Koken, M, Galons, H, Wan, Y, Gray, N, Meijer, L, Jiang, T, Liang, D.-C.
Deposit date:2005-01-09
Release date:2005-07-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of pyridoxal kinase in complex with roscovitine and derivatives.
J.Biol.Chem., 280, 2005
4JGV
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BU of 4jgv by Molmil
Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with THPN
Descriptor: 1-(3,4,5-trihydroxyphenyl)nonan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
Authors:Zhang, Q, Li, F, Li, A, Tian, X, Wan, W, Wan, Y, Chen, H, Xing, Y, Wu, Q, Lin, T.
Deposit date:2013-03-04
Release date:2013-12-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway.
Nat.Chem.Biol., 10, 2014
4OJX
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BU of 4ojx by Molmil
crystal structure of yeast phosphodiesterase-1 in complex with GMP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3',5'-cyclic-nucleotide phosphodiesterase 1, GUANOSINE-5'-MONOPHOSPHATE, ...
Authors:Tian, Y, Cui, W, Huang, M, Robinson, H, Wan, Y, Wang, Y, Ke, H.
Deposit date:2014-01-21
Release date:2014-12-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Dual specificity and novel structural folding of yeast phosphodiesterase-1 for hydrolysis of second messengers cyclic adenosine and guanosine 3',5'-monophosphate.
Biochemistry, 53, 2014
4OJV
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BU of 4ojv by Molmil
Crystal structure of unliganded yeast PDE1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3',5'-cyclic-nucleotide phosphodiesterase 1, SULFATE ION, ...
Authors:Tian, Y, Cui, W, Huang, M, Robinson, H, Wan, Y, Wang, Y, Ke, H.
Deposit date:2014-01-21
Release date:2014-12-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Dual specificity and novel structural folding of yeast phosphodiesterase-1 for hydrolysis of second messengers cyclic adenosine and guanosine 3',5'-monophosphate.
Biochemistry, 53, 2014
5AGT
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BU of 5agt by Molmil
Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-4-chloro-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP
Descriptor: 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, GLYCEROL, LEUCINE--TRNA LIGASE, ...
Authors:Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J.
Deposit date:2015-02-03
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5AGS
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BU of 5ags by Molmil
Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct 3-(Aminomethyl)-4-bromo-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP
Descriptor: 3-(AMINOMETHYL)-4-BROMO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-MODIFIED ADENOSINE, LEUCYL-TRNA SYNTHETASE, METHIONINE
Authors:Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J.
Deposit date:2015-02-03
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5AGR
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BU of 5agr by Molmil
Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP
Descriptor: 1,2-ETHANEDIOL, 3-AMINOMETHYL-7-(ETHOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified adenosine, LEUCINE, ...
Authors:Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J.
Deposit date:2015-02-03
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
3BJC
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BU of 3bjc by Molmil
Crystal structure of the PDE5A catalytic domain in complex with a novel inhibitor
Descriptor: 5-ethoxy-4-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide, MAGNESIUM ION, ZINC ION, ...
Authors:Chen, G, Wang, H, Howard, R, Cai, J, Wan, Y, Ke, H.
Deposit date:2007-12-03
Release date:2008-04-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:An insight into the pharmacophores of phosphodiesterase-5 inhibitors from synthetic and crystal structural studies
BIOCHEM.PHARM., 75, 2008
1T2L
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BU of 1t2l by Molmil
Three Crystal Structures of Human Coactosin-like Protein
Descriptor: Coactosin-like protein
Authors:Liu, L, Wei, Z, Chen, Z, Wang, Y, Gong, W.
Deposit date:2004-04-22
Release date:2004-11-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of Human Coactosin-like Protein
J.Mol.Biol., 344, 2004
2VGP
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BU of 2vgp by Molmil
Crystal structure of Aurora B kinase in complex with a aminothiazole inhibitor
Descriptor: 4-[(5-bromo-1,3-thiazol-2-yl)amino]-N-methylbenzamide, INNER CENTROMERE PROTEIN A, SERINE/THREONINE-PROTEIN KINASE 12-A
Authors:Andersen, C.B, Wan, Y, Chang, J.W, Lee, C, Liu, Y, Sessa, F, Villa, F, Nallan, L, Musacchio, A, Gray, N.S.
Deposit date:2007-11-15
Release date:2008-02-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Selective Aminothiazole Aurora Kinase Inhibitors
Acs Chem.Biol., 3, 2008
6JJ8
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BU of 6jj8 by Molmil
Crystal structure of OsHXK6-ATP-Mg2+ complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L.
Deposit date:2019-02-25
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of OsHXK6-ATP-Mg2+ complex
To Be Published
6JJ7
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BU of 6jj7 by Molmil
Crystal structure of OsHXK6-Glc complex
Descriptor: Rice hexokinase 6, beta-D-glucopyranose
Authors:He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L.
Deposit date:2019-02-25
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of OsHXK6-Glc complex
To Be Published
6JJ4
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BU of 6jj4 by Molmil
Crystal structure of OsHXK6-apo form
Descriptor: Hexokinase-6
Authors:He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L.
Deposit date:2019-02-25
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of OsHXK6-apo
To Be Published
6JJ9
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BU of 6jj9 by Molmil
Crystal structure of OsHXK6-Glc-ATP-Mg2+ complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Hexokinase-6, MAGNESIUM ION, ...
Authors:He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L.
Deposit date:2019-02-25
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of OsHXK6-Glc-ATP-Mg2+ complex
To Be Published
3V93
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BU of 3v93 by Molmil
unliganded structure of TcrPDEC1 catalytic domain
Descriptor: Cyclic nucleotide specific phosphodiesterase, MAGNESIUM ION, ZINC ION
Authors:Wang, H, Kunz, S, Chen, G, Seebeck, T, Wan, Y, Robinson, H, Martinelli, S, Ke, H.
Deposit date:2011-12-23
Release date:2012-02-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biological and structural characterization of Trypanosoma cruzi phosphodiesterase C and Implications for design of parasite selective inhibitors.
J.Biol.Chem., 287, 2012
3V94
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BU of 3v94 by Molmil
TcrPDEC1 catalytic domain in complex with inhibitor wyq16
Descriptor: Cyclic nucleotide specific phosphodiesterase, MAGNESIUM ION, ZINC ION, ...
Authors:Wang, H, Kunz, S, Chen, G, Seebeck, T, Wan, Y, Robinson, H, Martinelli, S, Ke, H.
Deposit date:2011-12-23
Release date:2012-02-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:TcrPDEC1 catalytic domain in complex with inhibitor wyq16
To be Published
1ZLT
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BU of 1zlt by Molmil
Crystal Structure of Chk1 Complexed with a Hymenaldisine Analog
Descriptor: (4Z)-4-(2-AMINO-5-OXO-3,5-DIHYDRO-4H-IMIDAZOL-4-YLIDENE)-2,3-DICHLORO-4,5,6,7-TETRAHYDROPYRROLO[2,3-C]AZEPIN-8(1H)-ONE, SULFATE ION, Serine/threonine-protein kinase Chk1
Authors:Lee, C.C, Ng, K, Wan, Y, Gray, N, Spraggon, G.
Deposit date:2005-05-09
Release date:2006-06-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal Structure of Chk1 Complexed with a Hymenaldisine Analog
To be Published
3JRS
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BU of 3jrs by Molmil
Crystal structure of (+)-ABA-bound PYL1
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Putative uncharacterized protein At5g46790
Authors:Miyazono, K, Miyakawa, T, Sawano, Y, Kubota, K, Tanokura, M.
Deposit date:2009-09-08
Release date:2009-11-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis of abscisic acid signalling
Nature, 462, 2009
4W9O
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BU of 4w9o by Molmil
The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1R)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one
Descriptor: (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1R)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, ACETATE ION, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Pomplun, S, Wang, Y, Kirschner, K, Kozany, C, Bracher, A, Hausch, F.
Deposit date:2014-08-27
Release date:2014-12-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Rational Design and Asymmetric Synthesis of Potent and Neurotrophic Ligands for FK506-Binding Proteins (FKBPs).
Angew.Chem.Int.Ed.Engl., 54, 2015
6EEM
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BU of 6eem by Molmil
Crystal structure of Papaver somniferum tyrosine decarboxylase in complex with L-tyrosine
Descriptor: N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-tyrosine, SULFATE ION, TYROSINE, ...
Authors:Torrens-Spence, M.P, Chiang, Y, Smith, T, Vicent, M.A, Wang, Y, Weng, J.K.
Deposit date:2018-08-14
Release date:2018-09-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.61000657 Å)
Cite:Structural basis for divergent and convergent evolution of catalytic machineries in plant aromatic amino acid decarboxylase proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6EEQ
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BU of 6eeq by Molmil
Crystal structure of Rhodiola rosea 4-hydroxyphenylacetaldehyde synthase
Descriptor: 4-hydroxyphenylacetaldehyde synthase
Authors:Torrens-Spence, M.P, Chiang, Y, Smith, T, Vicent, M.A, Wang, Y, Weng, J.K.
Deposit date:2018-08-15
Release date:2018-09-19
Last modified:2020-06-03
Method:X-RAY DIFFRACTION (2.600086 Å)
Cite:Structural basis for divergent and convergent evolution of catalytic machineries in plant aromatic amino acid decarboxylase proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020

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