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6M5X
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BU of 6m5x by Molmil
A fungal glyceraldehyde-3-phosphate dehydrogenase with self-resistance to inhibitor heptelidic acid
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Yan, Y, Zang, X, Cooper, S.J, Lin, H, Zhou, J, Tang, Y.
登録日2020-03-12
公開日2020-12-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05990934 Å)
主引用文献Biosynthesis of the fungal glyceraldehyde-3-phosphate dehydrogenase inhibitor heptelidic acid and mechanism of self-resistance
Chem Sci, 11, 2020
8TN0
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BU of 8tn0 by Molmil
Crystal structure of KPC-44 carbapenemase w/o cryoprotectant
分子名称: SULFATE ION, beta-lactamase
著者Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B.
登録日2023-07-31
公開日2023-12-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops.
J.Biol.Chem., 300, 2023
8TMR
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BU of 8tmr by Molmil
Crystal structure of KPC-44 carbapenemase complexed with avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, PHOSPHATE ION, ...
著者Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B.
登録日2023-07-30
公開日2023-12-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops.
J.Biol.Chem., 300, 2023
7EV9
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BU of 7ev9 by Molmil
cryoEM structure of particulate methane monooxygenase associated with Cu(I)
分子名称: Ammonia monooxygenase/methane monooxygenase, subunit C family protein, COPPER (I) ION, ...
著者Chang, W.H, Lin, H.H, Tsai, I.K, Huang, S.H, Chung, S.C, Tu, I.P, Yu, S.F, Chan, S.I.
登録日2021-05-20
公開日2021-07-21
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Copper Centers in the Cryo-EM Structure of Particulate Methane Monooxygenase Reveal the Catalytic Machinery of Methane Oxidation.
J.Am.Chem.Soc., 143, 2021
3I9N
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BU of 3i9n by Molmil
Crystal structure of human CD38 complexed with an analog ribo-2'F-ADP ribose
分子名称: ADP-ribosyl cyclase 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4S)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
著者Liu, Q, Graeff, R, Kriksunov, I.A, Jiang, H, Zhang, B, Oppenheimer, N, Lin, H, Potter, B.V.L, Lee, H.C, Hao, Q.
登録日2009-07-12
公開日2009-07-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase
J.Biol.Chem., 284, 2009
3I9K
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BU of 3i9k by Molmil
Crystal structure of ADP ribosyl cyclase complexed with substrate NAD
分子名称: ADP-ribosyl cyclase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Liu, Q, Graeff, R, Kriksunov, I.A, Jiang, H, Zhang, B, Oppenheimer, N, Lin, H, Potter, B.V.L, Lee, H.C, Hao, Q.
登録日2009-07-12
公開日2009-07-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase
J.Biol.Chem., 284, 2009
3I9M
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BU of 3i9m by Molmil
Crystal structure of human CD38 complexed with an analog ara-2'F-ADPR
分子名称: ADP-ribosyl cyclase 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4R)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
著者Liu, Q, Graeff, R, Kriksunov, I.A, Jiang, H, Zhang, B, Oppenheimer, N, Lin, H, Potter, B.V.L, Lee, H.C, Hao, Q.
登録日2009-07-12
公開日2009-07-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase
J.Biol.Chem., 284, 2009
3I9L
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BU of 3i9l by Molmil
Crystal structure of ADP ribosyl cyclase complexed with N1-cIDPR
分子名称: ADP-ribosyl cyclase, N1-CYCLIC INOSINE 5'-DIPHOSPHORIBOSE
著者Liu, Q, Graeff, R, Kriksunov, I.A, Jiang, H, Zhang, B, Oppenheimer, N, Lin, H, Potter, B.V.L, Lee, H.C, Hao, Q.
登録日2009-07-12
公開日2009-07-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase
J.Biol.Chem., 284, 2009
3I9J
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BU of 3i9j by Molmil
Crystal structure of ADP ribosyl cyclase complexed with a substrate analog and a product nicotinamide
分子名称: ADP-ribosyl cyclase, NICOTINAMIDE, Nicotinamide 2-fluoro-adenine dinucleotide, ...
著者Liu, Q, Graeff, R, Kriksunov, I.A, Jiang, H, Zhang, B, Oppenheimer, N, Lin, H, Potter, B.V.L, Lee, H.C, Hao, Q.
登録日2009-07-12
公開日2009-07-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase
J.Biol.Chem., 284, 2009
3U5Y
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BU of 3u5y by Molmil
Structures of Alkaloid Biosynthetic Glucosidases Decode Substrate Specificity
分子名称: CHLORIDE ION, Raucaffricine-O-beta-D-glucosidase, Secologanin
著者Xia, L, Ruppert, M, Wang, M, Panjikar, S, Lin, H, Rajendran, C, Barleben, L, Stoeckigt, J.
登録日2011-10-11
公開日2011-11-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of alkaloid biosynthetic glucosidases decode substrate specificity.
Acs Chem.Biol., 7, 2012
3DZJ
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BU of 3dzj by Molmil
Crystal structure of human CD38 extracellular domain E226Q mutant, NMN complex
分子名称: ADP-ribosyl cyclase 1, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE
著者Liu, Q, Kriksunov, I.A, Jiang, H, Graeff, R, Lin, H, Lee, H.C, Hao, Q.
登録日2008-07-29
公開日2008-11-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38.
Chem.Biol., 15, 2008
3DZH
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BU of 3dzh by Molmil
Crystal structure of human CD38 extracellular domain, GTP complex
分子名称: ADP-ribosyl cyclase 1, GUANOSINE-5'-TRIPHOSPHATE
著者Liu, Q, Kriksunov, I.A, Jiang, H, Graeff, R, Lin, H, Lee, H.C, Hao, Q.
登録日2008-07-29
公開日2008-11-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38.
Chem.Biol., 15, 2008
3DZK
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BU of 3dzk by Molmil
Crystal structure of human CD38 extracellular domain, NMN complex
分子名称: ADP-ribosyl cyclase 1, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE
著者Liu, Q, Kriksunov, I.A, Jiang, H, Graeff, R, Lin, H, Lee, H.C, Hao, Q.
登録日2008-07-29
公開日2008-11-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38.
Chem.Biol., 15, 2008
3DZF
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BU of 3dzf by Molmil
Crystal structure of human CD38 extracellular domain complexed with a covalent intermediate, ara-F-ribose-5'-phosphate
分子名称: 2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinofuranose, ADP-ribosyl cyclase 1
著者Liu, Q, Kriksunov, I.A, Jiang, H, Graeff, R, Lin, H, Lee, H.C, Hao, Q.
登録日2008-07-29
公開日2008-11-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38.
Chem.Biol., 15, 2008
3DZI
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BU of 3dzi by Molmil
Crystal structure of human CD38 extracellular domain, ribose-5'-phosphate intermediate/GTP complex
分子名称: 2-amino-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-9H-purin-6-yl 5-O-phosphono-beta-D-ribofuranoside, ADP-ribosyl cyclase 1, ANY 5'-MONOPHOSPHATE NUCLEOTIDE, ...
著者Liu, Q, Kriksunov, I.A, Jiang, H, Graeff, R, Lin, H, Lee, H.C, Hao, Q.
登録日2008-07-29
公開日2008-11-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38.
Chem.Biol., 15, 2008
3DZG
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BU of 3dzg by Molmil
Crystal structure of human CD38 extracellular domain, ara-F-ribose-5'-phosphate/nicotinamide complex
分子名称: 2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinofuranose, ADP-ribosyl cyclase 1, NICOTINAMIDE
著者Liu, Q, Kriksunov, I.A, Jiang, H, Graeff, R, Lin, H, Lee, H.C, Hao, Q.
登録日2008-07-29
公開日2008-11-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38.
Chem.Biol., 15, 2008
3U57
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BU of 3u57 by Molmil
Structures of Alkaloid Biosynthetic Glucosidases Decode Substrate Specificity
分子名称: (2beta,7beta,16S,17R,19E,21beta)-21-(beta-D-glucopyranosyloxy)-2,7-dihydro-7,17-cyclosarpagan-17-yl acetate, CHLORIDE ION, Raucaffricine-O-beta-D-glucosidase
著者Xia, L, Ruppert, M, Wang, M, Panjikar, S, Lin, H, Rajendran, C, Barleben, L, Stoeckigt, J.
登録日2011-10-11
公開日2011-11-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structures of alkaloid biosynthetic glucosidases decode substrate specificity.
Acs Chem.Biol., 7, 2012
7X8E
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BU of 7x8e by Molmil
Crystal structure of PfHPPD-Y13287 complex
分子名称: 1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Dong, J, Lin, H.-Y, Yang, G.-F.
登録日2022-03-12
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.749 Å)
主引用文献Structural insights of 4-Hydrophenylpyruvate dioxygenase inhibition by structurally diverse small molecules
Adv Agrochem, 2022
7X8H
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BU of 7x8h by Molmil
Crystal structure of AtHPPD-(+)-Usnic acid complex
分子名称: (9bR)-2,6-diethanoyl-8,9b-dimethyl-3,7,9-tris(oxidanyl)dibenzofuran-1-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Dong, J, Lin, H.-Y, Yang, G.-F.
登録日2022-03-13
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.986 Å)
主引用文献Discovery of Subnanomolar Inhibitors of 4-Hydroxyphenylpyruvate Dioxygenase via Structure-Based Rational Design.
J.Agric.Food Chem., 71, 2023
7X8D
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BU of 7x8d by Molmil
Crystal structure of AtHPPD-phenylpyruvate complex
分子名称: 3-PHENYLPYRUVIC ACID, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Dong, J, Lin, H.-Y, Yang, G.-F.
登録日2022-03-12
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.695 Å)
主引用文献Structural insights of 4-Hydrophenylpyruvate dioxygenase inhibition by structurally diverse small molecules
Adv Agrochem, 2022
7X8I
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BU of 7x8i by Molmil
Crystal structure of AtHPPD-Shikonin complex
分子名称: 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Dong, J, Lin, H.-Y, Yang, G.-F.
登録日2022-03-13
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.096 Å)
主引用文献Discovery of Subnanomolar Inhibitors of 4-Hydroxyphenylpyruvate Dioxygenase via Structure-Based Rational Design.
J.Agric.Food Chem., 71, 2023
3U5U
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BU of 3u5u by Molmil
Structures of Alkaloid Biosynthetic Glucosidases Decode Substrate Specificity
分子名称: CHLORIDE ION, Raucaffricine-O-beta-D-glucosidase
著者Xia, L, Ruppert, M, Wang, M, Panjikar, S, Lin, H, Rajendran, C, Barleben, L, Stoeckigt, J.
登録日2011-10-11
公開日2011-11-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of alkaloid biosynthetic glucosidases decode substrate specificity.
Acs Chem.Biol., 7, 2012
8TG1
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BU of 8tg1 by Molmil
Caldicellulosiruptor saccharolyticus periplasmic urea-binding protein
分子名称: BROMIDE ION, Extracellular ligand-binding receptor, UREA
著者Allert, M.J, Kumar, S, Wang, Y, Beese, L.S, Hellinga, H.W.
登録日2023-07-12
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.097 Å)
主引用文献Structure-based functional analysis reveals multiple roles and widespread use of urea-binding proteins in nitrogen metabolism
To Be Published
3ZJ6
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BU of 3zj6 by Molmil
Crystal of Raucaffricine Glucosidase in complex with inhibitor
分子名称: (1R,2S,3S,4R,5R)-4-(cyclohexylmethylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol, RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, SULFATE ION
著者Xia, L, Lin, H, Panjikar, S, Ruppert, M, Castiglia, A, Rajendran, C, Wang, M, Schuebel, H, Warzecha, H, Jaeger, V, Stoeckigt, J.
登録日2013-01-17
公開日2014-01-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Ligand Structures of Synthetic Deoxa-Pyranosylamines with Raucaffricine and Strictosidine Glucosidases Provide Structural Insights Into Their Binding and Inhibitory Behaviours.
J.Enzyme.Inhib.Med.Chem., 30, 2015
2DJY
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BU of 2djy by Molmil
Solution structure of Smurf2 WW3 domain-Smad7 PY peptide complex
分子名称: Mothers against decapentaplegic homolog 7, Smad ubiquitination regulatory factor 2
著者Chong, P.A, Lin, H, Wrana, J.L, Forman-Kay, J.D.
登録日2006-04-06
公開日2006-05-02
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献An Expanded WW Domain Recognition Motif Revealed by the Interaction between Smad7 and the E3 Ubiquitin Ligase Smurf2.
J.Biol.Chem., 281, 2006

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