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4ZPZ
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BU of 4zpz by Molmil
Crystal Structure of Semi-synthetic Ubiquitin with Phospho-Ser65 and Ala46Cys
分子名称: Polyubiquitin-B
著者Han, C, Virdee, S.
登録日2015-05-08
公開日2015-06-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献A Versatile Strategy for the Semisynthetic Production of Ser65 Phosphorylated Ubiquitin and Its Biochemical and Structural Characterisation.
Chembiochem, 16, 2015
3DOO
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BU of 3doo by Molmil
Crystal structure of shikimate dehydrogenase from Staphylococcus epidermidis complexed with shikimate
分子名称: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, Shikimate dehydrogenase
著者Han, C, Hu, T, Wu, D, Zhou, J, Shen, X, Qu, D, Jiang, H.
登録日2008-07-05
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray crystallographic and enzymatic analyses of shikimate dehydrogenase from Staphylococcus epidermidis
Febs J., 276, 2009
3DON
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BU of 3don by Molmil
Crystal structure of shikimate dehydrogenase from Staphylococcus epidermidis
分子名称: GLYCEROL, Shikimate dehydrogenase
著者Han, C, Hu, T, Wu, D, Zhou, J, Shen, X, Qu, D, Jiang, H.
登録日2008-07-05
公開日2009-05-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献X-ray crystallographic and enzymatic analyses of shikimate dehydrogenase from Staphylococcus epidermidis
Febs J., 276, 2009
3WLB
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BU of 3wlb by Molmil
HLA-A24 in complex with HIV-1 Nef126-10(8T10F)
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ...
著者Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A, Han, C.
登録日2013-11-08
公開日2014-06-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Switching and emergence of CTL epitopes in HIV-1 infection
Retrovirology, 11, 2014
3WL9
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BU of 3wl9 by Molmil
HLA-A24 in complex with HIV-1 Nef126-10(8I10F)
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ...
著者Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A, Han, C.
登録日2013-11-08
公開日2014-06-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Switching and emergence of CTL epitopes in HIV-1 infection
Retrovirology, 11, 2014
3ZBM
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BU of 3zbm by Molmil
Structure of M92A variant of three-domain heme-Cu nitrite reductase from Ralstonia pickettii
分子名称: COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, HEME C
著者Antonyuk, S.V, Han, C, Eady, R.R, Hasnain, S.S.
登録日2012-11-10
公開日2013-04-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structures of protein-protein complexes involved in electron transfer.
Nature, 496, 2013
3ZIY
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BU of 3ziy by Molmil
Structure of three-domain heme-Cu nitrite reductase from Ralstonia pickettii at 1.01 A resolution
分子名称: COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, HEME C
著者Antonyuk, S.V, Han, C, Eady, R.R, Hasnain, S.S.
登録日2013-01-14
公開日2013-03-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Structures of protein-protein complexes involved in electron transfer.
Nature, 496, 2013
2XWZ
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STRUCTURE OF THE RECOMBINANT NATIVE NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS complexed with nitrite
分子名称: ACETATE ION, COPPER (II) ION, DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE, ...
著者Antonyuk, S.V, Leferink, N.G.H, Han, C, Heyes, D.J, Rigby, S.E.J, Hough, M.A, Eady, R.R, Scrutton, N.S, Hasnain, S.S.
登録日2010-11-06
公開日2011-05-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Proton-Coupled Electron Transfer in the Catalytic Cycle of Alcaligenes Xylosoxidans Copper-Dependent Nitrite Reductase.
Biochemistry, 50, 2011
2XX0
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BU of 2xx0 by Molmil
STRUCTURE OF THE N90S-H254F MUTANT OF NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COPPER (II) ION, DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE, ...
著者Antonyuk, S.V, Leferink, N.G.H, Han, C, Heyes, D.J, Rigby, S.E.J, Hough, M.A, Eady, R.R, Scrutton, N.S, Hasnain, S.S.
登録日2010-11-07
公開日2011-05-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Proton-Coupled Electron Transfer in the Catalytic Cycle of Alcaligenes Xylosoxidans Copper-Dependent Nitrite Reductase.
Biochemistry, 50, 2011
2XX1
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BU of 2xx1 by Molmil
STRUCTURE OF THE N90S MUTANT OF NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS complexed with nitrite
分子名称: COPPER (II) ION, DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE, NITRITE ION, ...
著者Antonyuk, S.V, Leferink, N.G.H, Han, C, Heyes, D.J, Rigby, S.E.J, Hough, M.A, Eady, R.R, Scrutton, N.S, Hasnain, S.S.
登録日2010-11-07
公開日2011-05-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Proton-Coupled Electron Transfer in the Catalytic Cycle of Alcaligenes Xylosoxidans Copper-Dependent Nitrite Reductase.
Biochemistry, 50, 2011
2YQB
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BU of 2yqb by Molmil
Structure of P93A variant of three-domain heme-Cu nitrite reductase from Ralstonia pickettii at 1.4 A resolution
分子名称: COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, HEME C
著者Antonyuk, S.V, Han, C, Eady, R.R, Hasnain, S.S.
登録日2012-11-07
公開日2013-04-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Structures of protein-protein complexes involved in electron transfer.
Nature, 496, 2013
4OG8
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BU of 4og8 by Molmil
Human menin with bound inhibitor MIV-6R
分子名称: 2-PHOSPHOGLYCOLIC ACID, 4-(3-{4-[(R)-amino(cyclopentyl)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile, DIMETHYL SULFOXIDE, ...
著者He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J.
登録日2014-01-15
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction.
J.Med.Chem., 57, 2014
4OG5
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BU of 4og5 by Molmil
Human menin with bound inhibitor MIV-5
分子名称: 4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J.
登録日2014-01-15
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction.
J.Med.Chem., 57, 2014
4OG4
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BU of 4og4 by Molmil
Human menin with bound inhibitor MIV-3S
分子名称: 4-(3-{4-[(S)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J.
登録日2014-01-15
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction.
J.Med.Chem., 57, 2014
4OG3
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BU of 4og3 by Molmil
Human menin with bound inhibitor MIV-3R
分子名称: 4-(3-{4-[(R)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J.
登録日2014-01-15
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction.
J.Med.Chem., 57, 2014
4OG6
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BU of 4og6 by Molmil
Human menin with bound inhibitor MIV-4
分子名称: 4-(3-{4-[(R)-cyclopentyl(3-fluorophenyl)hydroxymethyl]piperidin-1-yl}propoxy)benzonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J.
登録日2014-01-15
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction.
J.Med.Chem., 57, 2014
4OG7
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BU of 4og7 by Molmil
Human menin with bound inhibitor MIV-7
分子名称: 4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzenesulfonamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J.
登録日2014-01-15
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction.
J.Med.Chem., 57, 2014
7V6F
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BU of 7v6f by Molmil
Structure of Candida albicans Fructose-1,6-bisphosphate aldolase complexed with G3P
分子名称: Fructose-bisphosphate aldolase, GLYCERALDEHYDE-3-PHOSPHATE, ZINC ION
著者Hongxuan, C, Huang, Y, Han, C, Chen, W, Ren, Y, Wan, J.
登録日2021-08-20
公開日2022-02-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis.
J.Med.Chem., 65, 2022
8GC7
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BU of 8gc7 by Molmil
Bruton's tyrosine kinase in complex with 5-(piperidin-1-yl)-3-{[4-(piperidin-4-yl)phenyl]amino}pyrazine-2-carboxamide
分子名称: 1,2-ETHANEDIOL, 5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide, CHLORIDE ION, ...
著者Gajewski, S.
登録日2023-03-01
公開日2024-01-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Kinase-impaired BTK mutations are susceptible to clinical-stage BTK and IKZF1/3 degrader NX-2127.
Science, 383, 2024
8GC8
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BU of 8gc8 by Molmil
Bruton's tyrosine kinase L528W mutant in complex with 5-(piperidin-1-yl)-3-{[4-(piperidin-4-yl)phenyl]amino}pyrazine-2-carboxamide
分子名称: 1,2-ETHANEDIOL, 5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide, Tyrosine-protein kinase BTK
著者Gajewski, S.
登録日2023-03-01
公開日2024-01-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Kinase-impaired BTK mutations are susceptible to clinical-stage BTK and IKZF1/3 degrader NX-2127.
Science, 383, 2024
4YRB
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BU of 4yrb by Molmil
mouse TDH mutant R180K with NAD+ bound
分子名称: L-threonine 3-dehydrogenase, mitochondrial, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者He, C, Li, F.
登録日2015-03-14
公開日2016-02-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Structural insights on mouse l-threonine dehydrogenase: A regulatory role of Arg180 in catalysis
J.Struct.Biol., 192, 2015
4YRA
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BU of 4yra by Molmil
mouse TDH in the apo form
分子名称: L-threonine 3-dehydrogenase, mitochondrial
著者He, C, Li, F.
登録日2015-03-14
公開日2016-02-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural insights on mouse l-threonine dehydrogenase: A regulatory role of Arg180 in catalysis
J.Struct.Biol., 192, 2015
4YR9
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mouse TDH with NAD+ bound
分子名称: GLYCEROL, L-threonine 3-dehydrogenase, mitochondrial, ...
著者He, C, Li, F.
登録日2015-03-14
公開日2016-02-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights on mouse l-threonine dehydrogenase: A regulatory role of Arg180 in catalysis
J.Struct.Biol., 192, 2015
4CQH
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BU of 4cqh by Molmil
Structure of Infrared Fluorescent Protein IFP2.0
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, BACTERIOPHYTOCHROME, SODIUM ION
著者Lafaye, C, Yu, D, Noirclerc-Savoye, M, Shu, X, Royant, A.
登録日2014-02-17
公開日2014-05-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献An Improved Monomeric Infrared Fluorescent Protein for Neuronal and Tumour Brain Imaging.
Nat.Commun., 5, 2014
6U80
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BU of 6u80 by Molmil
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
分子名称: 5-bromo-N-(4-hydroxy[1,1'-biphenyl]-3-yl)-2-methoxybenzene-1-sulfonamide, WD repeat-containing protein 5
著者Zhao, B, Wang, F.
登録日2019-09-04
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction.
J.Med.Chem., 62, 2019

 

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