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5Z7P
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SmChiA sliding-intermediate with chitotriose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase A, GLYCEROL
著者Nakamura, A, Iino, R.
登録日2018-01-30
公開日2018-09-26
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Processive chitinase is Brownian monorail operated by fast catalysis after peeling rail from crystalline chitin.
Nat Commun, 9, 2018
4NRS
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BU of 4nrs by Molmil
Crystal Structure of Glycoside Hydrolase Family 5 Mannosidase (E202A mutant) from Rhizomucor miehei in complex with mannobiose
分子名称: Exo-beta-1,4-mannosidase, beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose
著者Jiang, Z.Q, Zhou, P, Yang, S.Q, Liu, Y, Yan, Q.J.
登録日2013-11-27
公開日2014-11-19
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Structural insights into the substrate specificity and transglycosylation activity of a fungal glycoside hydrolase family 5 beta-mannosidase.
Acta Crystallogr.,Sect.D, 70, 2014
6HTY
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BU of 6hty by Molmil
PXR in complex with P2X4 inhibitor compound 25
分子名称: (2~{R})-~{N}-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-propanamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Hillig, R.C, Puetter, V, Werner, S, Mesch, S, Laux-Biehlmann, A, Braeuer, N, Dahloef, H, Klint, J, ter Laak, A, Pook, E, Neagoe, I, Nubbemeyer, R, Schulz, S.
登録日2018-10-05
公開日2019-12-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Discovery and Characterization of the Potent and Selective P2X4 InhibitorN-[4-(3-Chlorophenoxy)-3-sulfamoylphenyl]-2-phenylacetamide (BAY-1797) and Structure-Guided Amelioration of Its CYP3A4 Induction Profile.
J.Med.Chem., 62, 2019
5JTT
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BU of 5jtt by Molmil
Crystal structure of GPb in complex with 8a
分子名称: (1S)-1,5-anhydro-1-(5-phenyl-1H-imidazol-2-yl)-D-glucitol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ...
著者Kantsadi, A.L, Stravodimos, G.A, Chatzileontiadou, D.S.M, Leonidas, D.D.
登録日2016-05-09
公開日2016-08-24
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Synthetic, enzyme kinetic, and protein crystallographic studies of C-beta-d-glucopyranosyl pyrroles and imidazoles reveal and explain low nanomolar inhibition of human liver glycogen phosphorylase.
Eur.J.Med.Chem., 123, 2016
4YN3
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BU of 4yn3 by Molmil
Crystal structure of Cucumisin complex with pro-peptide
分子名称: CHLORIDE ION, Cucumisin, DI(HYDROXYETHYL)ETHER, ...
著者Murayama, K, Kato-Murayama, M, Yokoyama, S, Arima, K, Shirouzu, M.
登録日2015-03-09
公開日2016-03-09
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis of cucumisin protease activity regulation by its propeptide
J. Biochem., 161, 2017
6SHD
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BU of 6shd by Molmil
Structure of the GH76A alpha-1,6-mannanase from Salegentibacter sp. HEL1_6
分子名称: Alpha-1,6-mannanase
著者Hehemann, J.H, Solanki, V.
登録日2019-08-06
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Glycoside hydrolase from the GH76 family indicates that marine Salegentibacter sp. Hel_I_6 consumes alpha-mannan from fungi.
Isme J, 2022
6ZRB
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BU of 6zrb by Molmil
Crystal structure of SMYD3 conjugate with piperidine-based covalent inhibitor EM127
分子名称: ACETATE ION, Histone-lysine N-methyltransferase SMYD3, N-[1-(2-Chloroacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide, ...
著者Talibov, V.O, Eriksson, D.
登録日2020-07-13
公開日2022-07-27
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of the 4-aminopiperidine-based compound EM127 for the site-specific covalent inhibition of SMYD3
Eur.J.Med.Chem., 2022
5JV0
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BU of 5jv0 by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor CL-08-038
分子名称: Farnesyl pyrophosphate synthase, SULFATE ION, [(1R)-2-(3-fluorophenyl)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}ethyl]phosphonic acid
著者Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M.
登録日2016-05-10
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase.
J. Med. Chem., 60, 2017
3MQD
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BU of 3mqd by Molmil
Crystal structure of beta-ketoacyl synthase from brucella melitensis with FOL 0758, (1-methyl-1h-indazol-3-yl) methanol
分子名称: (5-thiophen-2-ylisoxazol-3-yl)methanol, Beta-ketoacyl synthase, CHLORIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-04-28
公開日2010-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structural characterization of beta-ketoacyl ACP synthase I bound to platencin and fragment screening molecules at two substrate binding sites.
Proteins, 88, 2020
8TL9
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BU of 8tl9 by Molmil
Human Type 3 IP3 Receptor - Resting State (+IP3/ATP)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, ...
著者Paknejad, N, Sapuru, V, Hite, R.K.
登録日2023-07-26
公開日2023-11-08
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural titration reveals Ca 2+ -dependent conformational landscape of the IP 3 receptor.
Nat Commun, 14, 2023
7TFQ
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BU of 7tfq by Molmil
Crystal Structure of the Pirin Family Protein Redox-sensitive Bicupin YhaK Bound to Copper Ion from Yersinia pestis
分子名称: 1,2-ETHANEDIOL, COPPER (II) ION, FORMIC ACID, ...
著者Kim, Y, Chhor, G, Endres, M, Babnigg, G, Schneewind, O, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2022-01-07
公開日2022-01-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of the Pirin Family Protein Redox-sensitive Bicupin YhaK Bound to Copper Ion from Yersinia pestis
To Be Published
8Z2L
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BU of 8z2l by Molmil
Crystal structure of trehalose synthase mutant N253E from Deinococcus radiodurans
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, MAGNESIUM ION, ...
著者Ye, L.C, Chen, S.C.
登録日2024-04-12
公開日2025-01-01
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Structural and Mutational Analyses of Trehalose Synthase from Deinococcus radiodurans Reveal the Interconversion of Maltose-Trehalose Mechanism.
J.Agric.Food Chem., 72, 2024
5FGE
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BU of 5fge by Molmil
Yeast 20S proteasome beta5-H(-2)T-T1A double mutant in complex with Carfilzomib
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Huber, E.M, Groll, M.
登録日2015-12-20
公開日2016-03-23
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016
8TXN
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BU of 8txn by Molmil
Adaptive mechanism of collagen IV scaffold assembly in Drosophila: crystal structure of recombinant NC1 hexamer
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Collagen alpha-1(IV) chain, ...
著者Boudko, S.P.
登録日2023-08-23
公開日2023-11-08
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Collagen IV of basement membranes: IV. Adaptive mechanism of collagen IV scaffold assembly in Drosophila.
J.Biol.Chem., 299, 2023
5JX5
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BU of 5jx5 by Molmil
GH6 Orpinomyces sp. Y102 enzyme
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Tsai, L.C, Huang, H.C.
登録日2016-05-12
公開日2017-05-17
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of GH6 Orpinomyces sp. Y102 CelC7 enzyme with exo- and endo- activity in a complex with cellobiose
Acta Crystallogr.,Sect.D, 2019
6LX2
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BU of 6lx2 by Molmil
Potato D-enzyme complexed with CA26
分子名称: 4-alpha-glucanotransferase, chloroplastic/amyloplastic, 4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose, ...
著者Unno, H, Imamura, K.
登録日2020-02-10
公開日2020-08-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural analysis and reaction mechanism of the disproportionating enzyme (D-enzyme) from potato.
Protein Sci., 29, 2020
7X05
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CryoEM structure of chitin synthase 1 from Phytophthora sojae complexed with the nascent chitooligosaccharide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitin synthase, MANGANESE (II) ION, ...
著者Chen, W, Cao, P, Gong, Y, Yang, Q.
登録日2022-02-21
公開日2022-09-28
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural basis for directional chitin biosynthesis.
Nature, 610, 2022
8Z2T
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BU of 8z2t by Molmil
Crystal structure of trehalose synthase from Deinococcus radiodurans complexed with validoxylamine A (VAA)
分子名称: (1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-4-ENE-1,2,3-TRIOL, CALCIUM ION, MAGNESIUM ION, ...
著者Ye, L.C, Chen, S.C.
登録日2024-04-13
公開日2025-01-01
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Structural and Mutational Analyses of Trehalose Synthase from Deinococcus radiodurans Reveal the Interconversion of Maltose-Trehalose Mechanism.
J.Agric.Food Chem., 72, 2024
8FT7
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Crystal structure of SAH bound protein arginine N-methyltransferase 1 (PRMT1) from Naegleria fowleri
分子名称: PUA domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-01-11
公開日2023-01-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of SAH bound protein arginine N-methyltransferase 1 (PRMT1) from Naegleria fowleri
To be published
9IVZ
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Apg mutant enzyme D448A of acarbose hydrolase from human gut flora K. grimontii TD1, complex with acarbose
分子名称: (2~{S},3~{R},4~{S},5~{R},6~{R})-5-[[(1~{S},4~{R},5~{S},6~{S})-3-(hydroxymethyl)-4,5,6-tris(oxidanyl)cyclohex-2-en-1-yl]amino]-6-methyl-oxane-2,3,4-triol-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-galactopyranose, Maltodextrin glucosidase
著者Zhou, J.H, Huang, J.Y.
登録日2024-07-24
公開日2025-07-30
最終更新日2025-09-03
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Molecular insights of acarbose metabolization catalyzed by acarbose-preferred glucosidase.
Nat Commun, 16, 2025
8Z7D
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Structure of G9a in complex with compound 9a
分子名称: 3,6,6-trimethyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanylidene-1-[(phenylmethyl)amino]hexan-2-yl]-5,7-dihydro-1~{H}-indole-2-carboxamide, Histone-lysine N-methyltransferase EHMT2, SINEFUNGIN, ...
著者Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Ihara, K, Shirouzu, M, Umehara, T.
登録日2024-04-20
公開日2025-01-22
実験手法X-RAY DIFFRACTION (1.581 Å)
主引用文献Structure-based development of novel substrate-type G9a inhibitors as epigenetic modulators for sickle cell disease treatment.
Bioorg.Med.Chem.Lett., 110, 2024
6TSM
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BU of 6tsm by Molmil
Marasmius oreades agglutinin (MOA) in complex with the truncated PVVRAHS synthetic substrate
分子名称: 1,2-ETHANEDIOL, Agglutinin, CALCIUM ION, ...
著者Cordara, G, Manna, D, Krengel, U.
登録日2019-12-20
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of MOA in complex with a peptide fragment: A protease caught in flagranti .
Curr Res Struct Biol, 2, 2020
8TS5
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BU of 8ts5 by Molmil
Structure of the apo FabS1C_C1
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
著者Singer, A.U, Bruce, H.A, Blazer, L.L, Adams, J.J, Sicheri, F, Sidhu, S.S.
登録日2023-08-10
公開日2023-11-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
6E61
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Bacteroides ovatus mixed-linkage glucan utilization locus (MLGUL) SGBP-A in complex with mixed-linkage heptasaccharide
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, ...
著者Tamura, K, Gardill, B.R, Brumer, H, Van Petegem, F.
登録日2018-07-23
公開日2019-05-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Surface glycan-binding proteins are essential for cereal beta-glucan utilization by the human gut symbiont Bacteroides ovatus.
Cell.Mol.Life Sci., 76, 2019
6TSO
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BU of 6tso by Molmil
Marasmius oreades agglutinin (MOA) inhibited by cadmium
分子名称: 1,2-ETHANEDIOL, Agglutinin, CADMIUM ION, ...
著者Cordara, G, Manna, D, Krengel, U.
登録日2019-12-20
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of MOA in complex with a peptide fragment: A protease caught in flagranti .
Curr Res Struct Biol, 2, 2020

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