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8Y1M
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BU of 8y1m by Molmil
Xylanase R from Bacillus sp. TAR-1 complexed with xylobiose.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
著者Nakamura, T, Kuwata, K, Takita, T, Mizutani, K, Mikami, B, Nakamura, S, Yasukawa, K.
登録日2024-01-25
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Activity-stability trade-off observed in variants at position 315 of the GH10 xylanase XynR.
Sci Rep, 14, 2024
6JOM
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BU of 6jom by Molmil
Crystal structure of lipoate protein ligase from Mycoplasma hyopneumoniae
分子名称: 5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE, Lipoate--protein ligase
著者Zhang, H, Chen, H, Ma, G.
登録日2019-03-22
公開日2020-03-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Functional Identification and Structural Analysis of a New Lipoate Protein Ligase inMycoplasma hyopneumoniae.
Front Cell Infect Microbiol, 10, 2020
6V2F
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BU of 6v2f by Molmil
Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, GS-6207
分子名称: HIV-1 capsid, Lenacapavir
著者Appleby, T.C, Link, J.O, Yant, S.R, Villasenor, A.G, Somoza, J.R, Hu, E.Y, Schroeder, S.D, Cihlar, T.
登録日2019-11-22
公開日2020-07-01
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Clinical targeting of HIV capsid protein with a long-acting small molecule.
Nature, 584, 2020
6V74
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BU of 6v74 by Molmil
Crystal Structure of Human PKM2 in Complex with L-asparagine
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, ASPARAGINE, CHLORIDE ION, ...
著者Nandi, S, Dey, M.
登録日2019-12-07
公開日2020-03-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Biochemical and structural insights into how amino acids regulate pyruvate kinase muscle isoform 2.
J.Biol.Chem., 295, 2020
6J5L
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BU of 6j5l by Molmil
Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 10e
分子名称: High affinity nerve growth factor receptor, N-{2-[({3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indazol-5-yl}amino)methyl]phenyl}methanesulfonamide
著者Kensuke, A, Kazutaka, I.
登録日2019-01-11
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The discovery of novel 3-aryl-indazole derivatives as peripherally restricted pan-Trk inhibitors for the treatment of pain.
Bioorg.Med.Chem.Lett., 29, 2019
4UCO
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BU of 4uco by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
分子名称: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 7-amino-2-tert-butyl-4-(1H-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide, DNA LIGASE
著者Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
登録日2014-12-04
公開日2015-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UZG
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BU of 4uzg by Molmil
Crystal structure of group B streptococcus pilus 2b backbone protein SAK_1440
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, SURFACE PROTEIN SPB1
著者Malito, E, Cozzi, R, Bottomley, M.J.
登録日2014-09-05
公開日2015-05-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Structure and assembly of group B streptococcus pilus 2b backbone protein.
PLoS ONE, 10, 2015
4US5
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BU of 4us5 by Molmil
Crystal Structure of apo-MsnO8
分子名称: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Maier, S, Pflueger, T, Loesgen, S, Asmus, K, Broetz, E, Paululat, T, Zeeck, A, Andrade, S, Bechthold, A.
登録日2014-07-03
公開日2014-07-16
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Insights Into the Bioactivity of Mensacarcin and Epoxide Formation by Msno8.
Chembiochem, 15, 2014
6V3C
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BU of 6v3c by Molmil
K2P2.1(TREK-1)I110D:Ru360 bound channel structure
分子名称: CADMIUM ION, HEXANE, N-OCTANE, ...
著者Pope, L, Lolicato, M, Minor, D.L.
登録日2019-11-25
公開日2020-02-26
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.51 Å)
主引用文献Polynuclear Ruthenium Amines Inhibit K2PChannels via a "Finger in the Dam" Mechanism.
Cell Chem Biol, 2020
7VKE
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BU of 7vke by Molmil
Crystal structure of human CD38 ECD in complex with UniDab(TM) F11A
分子名称: 1,2-ETHANEDIOL, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, CHLORIDE ION, ...
著者Schooten, W.V, Schellenberger, U, Ugamraj, H.S, Manicka, S, Bijpuria, S, Gondu, R.K.
登録日2021-09-29
公開日2022-08-03
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献TNB-738, a biparatopic antibody, boosts intracellular NAD+ by inhibiting CD38 ecto-enzyme activity.
Mabs, 14, 2022
4WDY
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BU of 4wdy by Molmil
JC Polyomavirus VP1 five-fold pore mutant N221Q
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein VP1
著者Stroh, L.J, Stehle, T.
登録日2014-09-09
公開日2015-02-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Modulation of a Pore in the Capsid of JC Polyomavirus Reduces Infectivity and Prevents Exposure of the Minor Capsid Proteins.
J.Virol., 89, 2015
6JOI
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BU of 6joi by Molmil
Crystal structure of PDGFRA T674I in complex with crenolanib by co-crystallization
分子名称: 1-(2-{5-[(3-Methyloxetan-3-yl)methoxy]-1H-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine, Platelet-derived growth factor receptor alpha
著者Liang, L, Yan, X.E, Yun, C.H.
登録日2019-03-22
公開日2020-03-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure of PDGFRA T674I in complex with crenolanib by co-crystallization
To Be Published
8XVM
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BU of 8xvm by Molmil
Structure of SARS-CoV-2 BA.2.86 spike glycoprotein in complex with ACE2 (3-up state)
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, Processed angiotensin-converting enzyme 2, ...
著者Yajima, H, Anraku, Y, Kita, S, Kimura, K, Maenaka, K, Hashiguchi, T.
登録日2024-01-15
公開日2024-10-09
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.77 Å)
主引用文献Structural basis for receptor-binding domain mobility of the spike in SARS-CoV-2 BA.2.86 and JN.1.
Nat Commun, 15, 2024
8XV0
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BU of 8xv0 by Molmil
Structure of SARS-CoV-2 BA.2.86 spike RBD in complex with ACE2 (up state)
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, Processed angiotensin-converting enzyme 2, ...
著者Yajima, H, Anraku, Y, Kita, S, Kimura, K, Maenaka, K, Hashiguchi, T.
登録日2024-01-14
公開日2024-10-09
最終更新日2024-11-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for receptor-binding domain mobility of the spike in SARS-CoV-2 BA.2.86 and JN.1.
Nat Commun, 15, 2024
8XV1
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BU of 8xv1 by Molmil
Structure of SARS-CoV-2 BA.2.86 spike RBD in complex with ACE2 (down state)
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, Processed angiotensin-converting enzyme 2, ...
著者Yajima, H, Anraku, Y, Kita, S, Kimura, K, Maenaka, K, Hashiguchi, T.
登録日2024-01-14
公開日2024-10-09
最終更新日2024-11-27
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Structural basis for receptor-binding domain mobility of the spike in SARS-CoV-2 BA.2.86 and JN.1.
Nat Commun, 15, 2024
8XNW
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BU of 8xnw by Molmil
Respiratory complex Peripheral Arm of CI, close form B, focus-refined map of type II, Wild type mouse under Cold Acclimation
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
著者Shin, Y.-C, Liao, M.
登録日2023-12-30
公開日2024-10-30
最終更新日2024-12-04
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural basis of respiratory complex adaptation to cold temperatures.
Cell, 187, 2024
8XUY
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BU of 8xuy by Molmil
Structure of SARS-CoV-2 BA.2.86 spike glycoprotein in complex with ACE2 (2-up state)
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, Processed angiotensin-converting enzyme 2, ...
著者Yajima, H, Anraku, Y, Kita, S, Kimura, K, Maenaka, K, Hashiguchi, T.
登録日2024-01-14
公開日2024-10-09
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Structural basis for receptor-binding domain mobility of the spike in SARS-CoV-2 BA.2.86 and JN.1.
Nat Commun, 15, 2024
8XNR
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BU of 8xnr by Molmil
Respiratory complex Peripheral Arm of CI, close form A, focus-refined map of type IB, Wild type mouse under Cold Acclimation
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
著者Shin, Y.-C, Liao, M.
登録日2023-12-30
公開日2024-10-30
最終更新日2024-12-04
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis of respiratory complex adaptation to cold temperatures.
Cell, 187, 2024
8XNT
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BU of 8xnt by Molmil
Respiratory complex Peripheral Arm of CI, close form C, focus-refined map of type IB, Wild type mouse under Cold Acclimation
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
著者Shin, Y.-C, Liao, M.
登録日2023-12-30
公開日2024-10-30
最終更新日2024-12-04
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural basis of respiratory complex adaptation to cold temperatures.
Cell, 187, 2024
8XO0
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BU of 8xo0 by Molmil
Respiratory complex Peripheral Arm of CI, close form B, focus-refined map of type I, PERK -/- mouse under Cold Acclimation
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
著者Shin, Y.-C, Liao, M.
登録日2023-12-30
公開日2024-10-30
最終更新日2024-12-04
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural basis of respiratory complex adaptation to cold temperatures.
Cell, 187, 2024
8XNX
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BU of 8xnx by Molmil
Respiratory complex Peripheral Arm of CI, open form A, focus-refined map of type II, Wild type mouse under Cold Acclimation
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
著者Shin, Y.-C, Liao, M.
登録日2023-12-30
公開日2024-10-30
最終更新日2024-12-04
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural basis of respiratory complex adaptation to cold temperatures.
Cell, 187, 2024
8XNL
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BU of 8xnl by Molmil
Respiratory complex Peripheral Arm of CI, close form A, focus-refined map of type I, Wild type mouse under thermoneutral temperature
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
著者Shin, Y.-C, Liao, M.
登録日2023-12-30
公開日2024-10-30
最終更新日2024-12-04
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis of respiratory complex adaptation to cold temperatures.
Cell, 187, 2024
8XNS
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BU of 8xns by Molmil
Respiratory complex Peripheral Arm of CI, close form B, focus-refined map of type IB, Wild type mouse under Cold Acclimation
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
著者Shin, Y.-C, Liao, M.
登録日2023-12-30
公開日2024-10-30
最終更新日2024-12-04
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural basis of respiratory complex adaptation to cold temperatures.
Cell, 187, 2024
8XNM
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BU of 8xnm by Molmil
Respiratory complex Peripheral Arm of CI, close form B, focus-refined map of type I, Wild type mouse under thermoneutral temperature
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
著者Shin, Y.-C, Liao, M.
登録日2023-12-30
公開日2024-10-30
最終更新日2024-12-04
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural basis of respiratory complex adaptation to cold temperatures.
Cell, 187, 2024
8XNZ
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BU of 8xnz by Molmil
Respiratory complex Peripheral Arm of CI, close form A, focus-refined map of type I, PERK -/- mouse under Cold Acclimation
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
著者Shin, Y.-C, Liao, M.
登録日2023-12-30
公開日2024-10-30
最終更新日2024-12-04
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis of respiratory complex adaptation to cold temperatures.
Cell, 187, 2024

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