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6IK5
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BU of 6ik5 by Molmil
Crystal structure of tomato beta-galactosidase (TBG) 4 in complex with galactose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-galactosidase, ...
著者Matsuyama, K, Nakae, S, Igarashi, K, Tada, T, Ishimaru, M.
登録日2018-10-15
公開日2018-11-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Substrate-recognition mechanism of tomato beta-galactosidase 4 using X-ray crystallography and docking simulation.
Planta, 252, 2020
5XE1
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BU of 5xe1 by Molmil
Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with INCB14943
分子名称: 4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2,5-oxadiazole-3-carboxamidine, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
著者Xu, J, Wu, U, Liu, J.
登録日2017-03-31
公開日2017-05-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural insights into the binding mechanism of IDO1 with hydroxylamidine based inhibitor INCB14943
Biochem. Biophys. Res. Commun., 487, 2017
3DEC
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BU of 3dec by Molmil
Crystal structure of a glycosyl hydrolases family 2 protein from Bacteroides thetaiotaomicron
分子名称: Beta-galactosidase, POTASSIUM ION
著者Kumaran, D, Bonanno, J, Romero, R, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-06-09
公開日2008-06-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of a Glycosyl Hydrolases Family 2 protein from Bacteroides thetaiotaomicron.
To be Published
6ILI
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BU of 6ili by Molmil
Crystal structure of human MTH1(G2K/D120N mutant) in complex with 8-oxo-dGTP at pH 6.5
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE
著者Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y.
登録日2018-10-18
公開日2018-11-07
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity
J. Biol. Chem., 292, 2017
4OGF
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BU of 4ogf by Molmil
Crystal Structure of Human DJ-1 with glyoxylate as substrate analog
分子名称: Protein DJ-1
著者Choi, D, Kim, J, Ryu, K.-S, Park, C.
登録日2014-01-16
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Stereospecific mechanism of DJ-1 glyoxalases inferred from their hemithioacetal-containing crystal structures.
Febs J., 281, 2014
4K8D
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BU of 4k8d by Molmil
Crystal structure of the C558(464)A/C559(465)A double mutant of Tn501 MerA in complex with NADPH and Hg2+
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Mercuric reductase, ...
著者Dong, A, Falkowski, M, Malone, M, Miller, S.M, Pai, E.F.
登録日2013-04-18
公開日2013-05-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystal structure of the C136(42)A/C141(47)A double mutant of Tn501 MerA in complex with NADPH and Hg2+
to be published
6DPQ
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BU of 6dpq by Molmil
Mapping the binding trajectory of a suicide inhibitor in human indoleamine 2,3-dioxygenase 1
分子名称: (2R)-N-(4-chlorophenyl)-2-[cis-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ...
著者Pham, K.N, Yeh, S.R.
登録日2018-06-09
公開日2018-11-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Mapping the Binding Trajectory of a Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1.
J. Am. Chem. Soc., 140, 2018
3DJY
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BU of 3djy by Molmil
Nonaged Form of Human Butyrylcholinesterase Inhibited by Tabun
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Carletti, E, Nachon, F.
登録日2008-06-24
公開日2008-12-02
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation.
J.Am.Chem.Soc., 130, 2008
7PJV
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BU of 7pjv by Molmil
Structure of the 70S-EF-G-GDP-Pi ribosome complex with tRNAs in hybrid state 1 (H1-EF-G-GDP-Pi)
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Petrychenko, V, Peng, B.Z, Schwarzer, A.C, Peske, F, Rodnina, M.V, Fischer, N.
登録日2021-08-24
公開日2021-10-20
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural mechanism of GTPase-powered ribosome-tRNA movement.
Nat Commun, 12, 2021
4OGZ
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BU of 4ogz by Molmil
Crystal structure of a putative alpha-galactosidase/melibiase (BF4189) from Bacteroides fragilis NCTC 9343 at 2.00 A resolution
分子名称: DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, Putative alpha-galactosidase/melibiase, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2014-01-16
公開日2014-02-05
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a putative alpha-galactosidase/melibiase (BF4189) from Bacteroides fragilis NCTC 9343 at 2.00 A resolution
To be published
4KDF
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BU of 4kdf by Molmil
Crystal Structure of Thermus thermophilus Malate Dehydrogenase in Complex with NAD
分子名称: Malate dehydrogenase, SULFATE ION
著者Hsu, C.-H, Hong, C.-H, Chang, Y.-Y.
登録日2013-04-25
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.356 Å)
主引用文献Crystal structures and molecular dynamics simulations of thermophilic malate dehydrogenase reveal critical loop motion for co-substrate binding.
Plos One, 8, 2013
3GMZ
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BU of 3gmz by Molmil
Crystal of human arginase in complex with L-ornithine. Resolution 1.43 A.
分子名称: Arginase-1, L-ornithine, MANGANESE (II) ION
著者Di Costanzo, L, Christianson, D.W.
登録日2009-03-15
公開日2010-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Binding of alpha,alpha-Disubstituted Amino Acids to Arginase Suggests New Avenues for Inhibitor Design
J.Med.Chem., 54, 2011
7PJT
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BU of 7pjt by Molmil
Structure of the 70S ribosome with tRNAs in hybrid state 1 (H1)
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Petrychenko, V, Peng, B.Z, Schwarzer, A.C, Peske, F, Rodnina, M.V, Fischer, N.
登録日2021-08-24
公開日2021-10-20
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (6 Å)
主引用文献Structural mechanism of GTPase-powered ribosome-tRNA movement.
Nat Commun, 12, 2021
6DQ3
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BU of 6dq3 by Molmil
Streptococcus pyogenes deacetylase PplD in complex with acetate
分子名称: 1,2-ETHANEDIOL, ACETATE ION, IMIDAZOLE, ...
著者Li, J, Korotkova, N, Korotkov, K.V.
登録日2018-06-10
公開日2019-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献PplD is a de-N-acetylase of the cell wall linkage unit of streptococcal rhamnopolysaccharides
Nat Commun, 13, 2022
3GO8
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BU of 3go8 by Molmil
MutM encountering an intrahelical 8-oxoguanine (oxoG) lesion in EC3-loop deletion complex
分子名称: 5'-D(*GP*CP*GP*TP*CP*CP*(8OG)P*GP*AP*TP*CP*TP*AP*C)-3', 5'-D(P*GP*GP*TP*AP*GP*AP*TP*CP*CP*GP*GP*AP*CP*G)-3', Formamidopyrimidine-DNA glycosylase, ...
著者Spong, M.C, Qi, Y, Verdine, G.L.
登録日2009-03-18
公開日2009-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Encounter and extrusion of an intrahelical lesion by a DNA repair enzyme
Nature, 462, 2009
3D9E
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BU of 3d9e by Molmil
Nitroalkane oxidase: active site mutant D402N crystallized with 1-nitrooctane
分子名称: 1-nitrooctane, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Heroux, A, Bozinovski, D.M, Valley, M.P, Fitzpatrick, P.F, Orville, A.M.
登録日2008-05-27
公開日2009-04-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of intermediates in the nitroalkane oxidase reaction.
Biochemistry, 48, 2009
7PJU
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BU of 7pju by Molmil
Structure of the 70S ribosome with tRNAs in hybrid state 2 (H2)
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Petrychenko, V, Peng, B.Z, Schwarzer, A.C, Peske, F, Rodnina, M.V, Fischer, N.
登録日2021-08-24
公開日2021-11-17
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (9.5 Å)
主引用文献Structural mechanism of GTPase-powered ribosome-tRNA movement.
Nat Commun, 12, 2021
6IQV
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BU of 6iqv by Molmil
Crystal Structure of Cell Surface Glyceraldehyde-3-Phosphate Dehydrogenase Complexed with Hg2+ from Lactobacillus plantarum
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glyceraldehyde-3-phosphate dehydrogenase, ...
著者Yoneda, K, Kinoshita, H.
登録日2018-11-09
公開日2018-11-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Crystal Structure of Cell Surface Glyceraldehyde-3-Phosphate Dehydrogenase from Lactobacillus plantarum: Insight into the Mercury Binding Mechanism
Milk Sci, 68, 2019
5ZZT
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BU of 5zzt by Molmil
The crystal structure of Mandelate oxidase with 3,3-difluoro-2-hydroxy-3-phenylpropionic acid
分子名称: (2R)-3,3-difluoro-2-hydroxy-3-phenylpropanoic acid, 4-hydroxymandelate oxidase, FLAVIN MONONUCLEOTIDE
著者Li, T.L, Lin, K.H.
登録日2018-06-04
公開日2019-06-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural and chemical trapping of flavin-oxide intermediates reveals substrate-directed reaction multiplicity.
Protein Sci., 29, 2020
6IBM
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BU of 6ibm by Molmil
Crystal structure of human alpha-galactosidase A in complex with alpha-galactose configured cyclosulfate ME776
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Rowland, R.J, Wu, L, Davies, G.J.
登録日2018-11-30
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Alpha-d-Gal-cyclophellitol cyclosulfamidate is a Michaelis complex analog that stabilizes therapeutic lysosomal alpha-galactosidase A in Fabry disease
Chem Sci, 2019
5ZZZ
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BU of 5zzz by Molmil
The crystal structure of Mandelate oxidase Y128C with benzoyl-formic acid
分子名称: 4-hydroxymandelate oxidase, BENZOYL-FORMIC ACID, FLAVIN MONONUCLEOTIDE
著者Li, T.L, Lin, K.H.
登録日2018-06-05
公開日2019-06-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.446 Å)
主引用文献The flavin mononucleotide cofactor in alpha-hydroxyacid oxidases exerts its electrophilic/nucleophilic duality in control of the substrate-oxidation level.
Acta Crystallogr D Struct Biol, 75, 2019
4OMF
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BU of 4omf by Molmil
The F420-reducing [NiFe]-hydrogenase complex from Methanothermobacter marburgensis, the first X-ray structure of a group 3 family member
分子名称: CHLORIDE ION, F420-reducing hydrogenase, subunit alpha, ...
著者Vitt, S, Ma, K, Warkentin, E, Moll, J, Pierik, A, Shima, S, Ermler, U.
登録日2014-01-27
公開日2014-06-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献The F420-Reducing [NiFe]-Hydrogenase Complex from Methanothermobacter marburgensis, the First X-ray Structure of a Group 3 Family Member.
J.Mol.Biol., 426, 2014
4KF2
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BU of 4kf2 by Molmil
Structure of the P4509 BM3 A82F F87V heme domain
分子名称: Bifunctional P-450/NADPH-P450 reductase, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE
著者Leys, D.
登録日2013-04-26
公開日2013-07-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Key Mutations Alter the Cytochrome P450 BM3 Conformational Landscape and Remove Inherent Substrate Bias.
J.Biol.Chem., 288, 2013
6DUM
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BU of 6dum by Molmil
ALDH1A1 N121S in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g)
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, ...
著者Buchman, C.D, Hurley, T.D.
登録日2018-06-21
公開日2019-05-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Based Optimization of a Novel Class of Aldehyde Dehydrogenase 1A (ALDH1A) Subfamily-Selective Inhibitors as Potential Adjuncts to Ovarian Cancer Chemotherapy.
J.Med.Chem., 61, 2018
3GUK
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BU of 3guk by Molmil
T4 lysozyme M102E/L99A mutant with buried charge in apolar cavity--Toluene binding
分子名称: ACETATE ION, CALCIUM ION, CHLORIDE ION, ...
著者Liu, L, Matthews, B.W.
登録日2009-03-30
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Use of stabilizing mutations to engineer a charged group within a ligand-binding hydrophobic cavity in T4 lysozyme.
Biochemistry, 48, 2009

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