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7K4X
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BU of 7k4x by Molmil
Crystal structure of Kemp Eliminase HG3.7 in complex with the transition state analog 6-nitrobenzotriazole
分子名称: 6-NITROBENZOTRIAZOLE, ACETATE ION, Endo-1,4-beta-xylanase, ...
著者Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
登録日2020-09-16
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7K4Y
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BU of 7k4y by Molmil
Crystal structure of Kemp Eliminase HG3.17 at 343 K
分子名称: Endo-1,4-beta-xylanase
著者Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
登録日2020-09-16
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7K4R
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BU of 7k4r by Molmil
Crystal structure of Kemp Eliminase HG3 K50Q
分子名称: Endo-1,4-beta-xylanase
著者Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
登録日2020-09-16
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7K4P
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BU of 7k4p by Molmil
Crystal structure of Kemp Eliminase HG3
分子名称: Endo-1,4-beta-xylanase
著者Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
登録日2020-09-16
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7K4T
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BU of 7k4t by Molmil
Crystal structure of Kemp Eliminase HG3.17
分子名称: Endo-1,4-beta-xylanase
著者Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
登録日2020-09-16
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.999 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7K4S
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BU of 7k4s by Molmil
Crystal structure of Kemp Eliminase HG3.7
分子名称: Endo-1,4-beta-xylanase, SULFATE ION
著者Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
登録日2020-09-16
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7K4W
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BU of 7k4w by Molmil
Crystal structure of Kemp Eliminase HG3.17 in the inactive state
分子名称: CALCIUM ION, Endo-1,4-beta-xylanase
著者Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
登録日2020-09-16
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7K4Z
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BU of 7k4z by Molmil
Crystal structure of Kemp Eliminase HG3.17 in complex with the transition state analog 6-nitrobenzotriazole
分子名称: 6-NITROBENZOTRIAZOLE, Endo-1,4-beta-xylanase, PENTAETHYLENE GLYCOL
著者Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
登録日2020-09-16
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7K4Q
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BU of 7k4q by Molmil
Crystal structure of Kemp Eliminase HG3 in complex with the transition state analog 6-nitrobenzotriazole
分子名称: 6-NITROBENZOTRIAZOLE, Endo-1,4-beta-xylanase, SULFATE ION
著者Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
登録日2020-09-16
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7K4V
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BU of 7k4v by Molmil
Crystal structure of Kemp Eliminase HG3.17
分子名称: Endo-1,4-beta-xylanase, TETRAETHYLENE GLYCOL
著者Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
登録日2020-09-16
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7K4U
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BU of 7k4u by Molmil
Crystal structure of Kemp Eliminase HG3 K50Q in complex with the transition state analog 6-nitrobenzotriazole
分子名称: 6-NITROBENZOTRIAZOLE, Endo-1,4-beta-xylanase
著者Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
登録日2020-09-16
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
6AID
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BU of 6aid by Molmil
Structural insights into the unique polylactate degrading mechanism of Thermobifida alba cutinase
分子名称: CALCIUM ION, Esterase, LACTIC ACID, ...
著者Kitadokoro, K, Kakara, M, Matsui, S, Osokoshi, R, Thumarat, U, Kawai, F, Kamitani, S.
登録日2018-08-22
公開日2019-02-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural insights into the unique polylactate-degrading mechanism of Thermobifida alba cutinase.
Febs J., 286, 2019
1HE8
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BU of 1he8 by Molmil
Ras G12V - PI 3-kinase gamma complex
分子名称: MAGNESIUM ION, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT, GAMMA ISOFORM, ...
著者Pacold, M.E, Suire, S, Perisic, O, Lara-Gonzalez, S, Davis, C.T, Hawkins, P.T, Walker, E.H, Stephens, L, Eccleston, J.F, Williams, R.L.
登録日2000-11-20
公開日2001-01-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structure and Functional Analysis of Ras Binding to its Effector Phosphoinositide 3-Kinase Gamma
Cell(Cambridge,Mass.), 103, 2000
6JLU
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BU of 6jlu by Molmil
Structure of PSII-FCP supercomplex from a centric diatom Chaetoceros gracilis at 3.02 angstrom resolution
分子名称: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ...
著者Pi, X, Zhao, S, Wang, W, Kuang, T, Sui, S, Shen, J.
登録日2019-03-06
公開日2019-07-31
最終更新日2019-11-06
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献The pigment-protein network of a diatom photosystem II-light-harvesting antenna supercomplex.
Science, 365, 2019
5XMI
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BU of 5xmi by Molmil
Cryo-EM Structure of the ATP-bound VPS4 mutant-E233Q hexamer (masked)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Vacuolar protein sorting-associated protein 4
著者Sun, S, Li, L, Yang, F, Wang, X, Fan, F, Li, X, Wang, H, Sui, S.
登録日2017-05-15
公開日2017-08-09
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM structures of the ATP-bound Vps4(E233Q) hexamer and its complex with Vta1 at near-atomic resolution
Nat Commun, 8, 2017
5XMK
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BU of 5xmk by Molmil
Cryo-EM structure of the ATP-bound Vps4 mutant-E233Q complex with Vta1 (masked)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Vacuolar protein sorting-associated protein 4, Vacuolar protein sorting-associated protein VTA1
著者Sun, S, Li, L, Yang, F, Wang, X, Fan, F, Li, X, Wang, H, Sui, S.
登録日2017-05-15
公開日2017-08-09
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.18 Å)
主引用文献Cryo-EM structures of the ATP-bound Vps4(E233Q) hexamer and its complex with Vta1 at near-atomic resolution
Nat Commun, 8, 2017
7DF8
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BU of 7df8 by Molmil
full length hNPC1L1-Apo
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, 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, ...
著者Hu, M, Sun, S, Sui, S.
登録日2020-11-06
公開日2021-08-04
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Structural insights into the mechanism of human NPC1L1-mediated cholesterol uptake.
Sci Adv, 7, 2021
6JIB
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BU of 6jib by Molmil
Human MTHFD2 in complex with DS44960156
分子名称: 4-(5-oxo-1,5-dihydro-2H-[1]benzopyrano[3,4-c]pyridine-3(4H)-carbonyl)benzoic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ...
著者Suzuki, M, Matsui, Y, Kawai, J.
登録日2019-02-20
公開日2019-06-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold.
Acs Med.Chem.Lett., 10, 2019
6JID
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BU of 6jid by Molmil
Human MTHFD2 in complex with Compound 1
分子名称: 5-(4-oxo-2-phenyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4H)-carbonyl)-1,3-dihydro-2H-2lambda~6~,1-benzothiazole-2,2-dione, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ...
著者Suzuki, M, Matsui, Y, Matsuhashi, N, Kawai, J.
登録日2019-02-20
公開日2019-06-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold.
Acs Med.Chem.Lett., 10, 2019
6KG2
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BU of 6kg2 by Molmil
Human MTHFD2 in complex with Compound 18
分子名称: Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, N-[2-chloranyl-4-[[7-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanylidene-2,4-dihydro-1H-chromeno[3,4-c]pyridin-3-yl]carbonyl]phenyl]methanesulfonamide, ...
著者Suzuki, M, Matsui, Y, Ota, M, Kawai, J.
登録日2019-07-10
公開日2019-11-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity.
J.Med.Chem., 62, 2019
6XF4
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BU of 6xf4 by Molmil
Crystal structure of STING REF variant in complex with E7766
分子名称: (1R,3R,15E,28R,29R,30R,31R,34R,36R,39S,41R)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name), 1,2-ETHANEDIOL, Stimulator of interferon genes protein
著者Chen, Y, Wang, J.Y, Kim, D.-S.
登録日2020-06-15
公開日2021-02-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献E7766, a Macrocycle-Bridged Stimulator of Interferon Genes (STING) Agonist with Potent Pan-Genotypic Activity.
Chemmedchem, 16, 2021
6XF3
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BU of 6xf3 by Molmil
Crystal structure of STING in complex with E7766
分子名称: (1R,3R,15E,28R,29R,30R,31R,34R,36R,39S,41R)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name), Stimulator of interferon genes protein
著者Chen, Y, Wang, J.Y, Kim, D.-S.
登録日2020-06-15
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献E7766, a Macrocycle-Bridged Stimulator of Interferon Genes (STING) Agonist with Potent Pan-Genotypic Activity.
Chemmedchem, 16, 2021
5XWM
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BU of 5xwm by Molmil
human ERp44 zinc-bound form
分子名称: CHLORIDE ION, Endoplasmic reticulum resident protein 44, ZINC ION
著者Watanabe, S, Harayama, M, Inaba, K.
登録日2017-06-30
公開日2019-01-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Zinc regulates ERp44-dependent protein quality control in the early secretory pathway.
Nat Commun, 10, 2019
4Z9V
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BU of 4z9v by Molmil
TCTP contains a BH3-like domain, which instead of inhibiting, activates Bcl-xL
分子名称: BICARBONATE ION, Bcl-2-like protein 1,APOPTOSIS REGULATOR BCL-XL, SODIUM ION, ...
著者Cura, V, Agez, M, Thebault, S, Cavarelli, J.
登録日2015-04-12
公開日2016-02-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献TCTP contains a BH3-like domain, which instead of inhibiting, activates Bcl-xL.
Sci Rep, 6, 2016
2YWR
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BU of 2ywr by Molmil
Crystal structure of GAR transformylase from Aquifex aeolicus
分子名称: COBALT (II) ION, MAGNESIUM ION, Phosphoribosylglycinamide formyltransferase
著者Kanagawa, M, Baba, S, Kuramitsu, S, Yokoyama, S, Kawai, G, Sampei, G, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-04-23
公開日2007-10-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structures and reaction mechanisms of the two related enzymes, PurN and PurU.
J.Biochem., 154, 2013

 

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