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1NFV
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BU of 1nfv by Molmil
X-ray structure of Desulfovibrio desulfuricans bacterioferritin: the diiron centre in different catalytic states (as-isolated structure)
分子名称: 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, 3-HYDROXYPYRUVIC ACID, FE (III) ION, ...
著者Macedo, S, Romao, C.V, Mitchell, E, Matias, P.M, Liu, M.Y, Xavier, A.V, LeGall, J, Teixeira, M, Lindley, P, Carrondo, M.A.
登録日2002-12-16
公開日2003-04-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The nature of the di-iron site in the bacterioferritin from Desulfovibrio desulfuricans
NAT.STRUCT.BIOL., 10, 2003
6PR2
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BU of 6pr2 by Molmil
R261A/S128A S. typhimurium siroheme synthase
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Pennington, J.M, Stroupe, M.E.
登録日2019-07-10
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
1K08
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BU of 1k08 by Molmil
Crystallographic Binding Study of 10 mM N-benzoyl-N'-beta-D-glucopyranosyl urea to glycogen phosphorylase b
分子名称: Glycogen Phosphorylase, N-[(phenylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine, PYRIDOXAL-5'-PHOSPHATE
著者Oikonomakos, N.G, Kosmopoulou, M, Zographos, S.E, Leonidas, D.D, Chrysina, E.D, Somsak, L, Nagy, V, Praly, J.P, Docsa, T, Toth, B, Gergely, P.
登録日2001-09-18
公開日2001-10-03
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Binding of N-acetyl-N '-beta-D-glucopyranosyl urea and N-benzoyl-N '-beta-D-glucopyranosyl urea to glycogen phosphorylase b: kinetic and crystallographic studies.
Eur.J.Biochem., 269, 2002
2JAA
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BU of 2jaa by Molmil
SeMet substituted Shigella Flexneri Ipad
分子名称: INVASIN IPAD
著者Johnson, S, Roversi, P, Espina, M, Olive, A, Deane, J.E, Birket, S, Field, T, Picking, W.D, Blocker, A.J, Galyov, E.E, Picking, W.L, Lea, S.M.
登録日2006-11-24
公開日2006-11-30
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Self-Chaperoning of the Type III Secretion System Needle Tip Proteins Ipad and Bipd.
J.Biol.Chem., 282, 2007
7AVM
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BU of 7avm by Molmil
Crystal Structure of Pro-Rhodesain C150A
分子名称: Cysteine protease, GLYCEROL
著者Johe, P, Jaenicke, E, Neuweiler, H, Schirmeister, T, Kersten, C, Hellmich, U.
登録日2020-11-05
公開日2020-11-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure, interdomain dynamics, and pH-dependent autoactivation of pro-rhodesain, the main lysosomal cysteine protease from African trypanosomes.
J.Biol.Chem., 296, 2021
6PF2
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BU of 6pf2 by Molmil
Crystal Structure of Amino Acids 1220-1276 of Human Beta Cardiac Myosin Fused to Gp7 and Eb1
分子名称: 1,2-ETHANEDIOL, Myosin, heavy polypeptide 7, ...
著者Andreas, M.P, Korkmaz, E.N, Kirsch, C.J, Hargreaves, M, Kieffer, D.J, Ajay, G, Cui, Q, Rayment, I.
登録日2019-06-21
公開日2020-06-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献A Complete Model of the Cardiac Myosin Rod
To Be Published
1OIY
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BU of 1oiy by Molmil
Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor
分子名称: 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ...
著者Pratt, D.J, Endicott, J.A, Noble, M.E.M.
登録日2003-06-26
公開日2004-07-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2
J.Med.Chem., 47, 2004
4Q06
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BU of 4q06 by Molmil
Crystal structure of chimeric carbonic anhydrase IX with inhibitor
分子名称: 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2014-04-01
公開日2015-01-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.
J.Med.Chem., 57, 2014
7B5O
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BU of 7b5o by Molmil
Cryo-EM structure of the human CAK bound to ICEC0942 at 2.5 Angstroms resolution
分子名称: (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ...
著者Greber, B.J, Remis, J, Ali, S, Nogales, E.
登録日2020-12-05
公開日2021-02-10
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献2.5 angstrom -resolution structure of human CDK-activating kinase bound to the clinical inhibitor ICEC0942.
Biophys.J., 120, 2021
6V7B
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BU of 6v7b by Molmil
Cryo-EM reconstruction of Pyrobaculum filamentous virus 2 (PFV2)
分子名称: A-DNA, Structural protein VP1, Structural protein VP2
著者Wang, F, Baquero, D.P, Su, Z, Prangishvili, D, Krupovic, M, Egelman, E.H.
登録日2019-12-08
公開日2020-04-01
最終更新日2020-05-20
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure of a filamentous virus uncovers familial ties within the archaeal virosphere.
Virus Evol, 6, 2020
3KAZ
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BU of 3kaz by Molmil
Crystal structure of abscisic acid receptor PYL2
分子名称: 1,3-BUTANEDIOL, Putative uncharacterized protein At2g26040
著者Zhou, X.E, Melcher, K, Ng, L.-M, Soon, F.-F, Xu, Y, Suino-Powell, K.M, Kovach, A, Li, J, Xu, H.E.
登録日2009-10-19
公開日2009-12-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Agate-latch-lock mechanism for hormone signalling by abscisic acid receptors
Nature, 462, 2009
1OI9
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BU of 1oi9 by Molmil
Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor
分子名称: 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ...
著者Pratt, D.J, Endicott, J.A, Noble, M.E.M.
登録日2003-06-10
公開日2004-07-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2
J.Med.Chem., 47, 2004
7B5Q
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BU of 7b5q by Molmil
Cryo-EM structure of the human CAK bound to ICEC0942 (PHENIX-OPLS3e)
分子名称: (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ...
著者Greber, B.J, Remis, J, Ali, S, Nogales, E.
登録日2020-12-05
公開日2021-02-10
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献2.5 angstrom -resolution structure of human CDK-activating kinase bound to the clinical inhibitor ICEC0942.
Biophys.J., 120, 2021
5FIF
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BU of 5fif by Molmil
Carboxyltransferase domain of a single-chain bacterial carboxylase
分子名称: 1,2-ETHANEDIOL, Carboxylase
著者Hagmann, A, Hunkeler, M, Stuttfeld, E, Maier, T.
登録日2015-12-23
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.494 Å)
主引用文献Hybrid Structure of a Dynamic Single-Chain Carboxylase from Deinococcus radiodurans.
Structure, 24, 2016
8UCX
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BU of 8ucx by Molmil
Dihydrofolate Reductase Complexed with Folate
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION
著者Fried, S.D.E, Boxer, S.G.
登録日2023-09-27
公開日2023-10-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Role of Electrostatics in Hydride Transfer by Dihydrofolate Reductase
To Be Published
6PFP
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BU of 6pfp by Molmil
Crystal Structure of Amino Acids 1473-1536 of Human Beta Cardiac Myosin Fused to Gp7 and Eb1
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Myosin-7 fused to GP7 and EB1, SULFATE ION
著者Andreas, M.P, Korkmaz, E.N, Kirsch, C.J, Hargreaves, M.D, Kieffer, D.J, Ajay, G, Cui, Q, Rayment, I.
登録日2019-06-21
公開日2020-06-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Complete Model of the Cardiac Myosin Rod
To Be Published
6VH7
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BU of 6vh7 by Molmil
Doublet Tau Fibril from Corticobasal Degeneration Human Brain Tissue
分子名称: Microtubule-associated protein tau
著者Arakhamia, T, Lee, C.E, Carlomagno, Y, Duong, D.M, Kundinger, S.R, Wang, K, Williams, D, DeTure, M, Dickson, D.W, Cook, C.N, Seyfried, N.T, Petrucelli, L, Fitzpatrick, A.W.P.
登録日2020-01-09
公開日2020-03-04
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Posttranslational Modifications Mediate the Structural Diversity of Tauopathy Strains.
Cell, 180, 2020
8C4L
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BU of 8c4l by Molmil
Ferric-siderophore reduction in Shewanella biscestrii: Structural and functional characterization of SbiSIP reveals unforeseen specificity
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Vibriobactin utilization protein ViuB
著者Trindade, I.B, Matias, P, Moe, E, Louro, R.O.
登録日2023-01-04
公開日2024-01-17
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Ferric-siderophore reduction in Shewanella bicestrii: Structural and functional characterization of SbSIP reveals an overlooked specificity of siderophore interacting proteins
To be published
6V09
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BU of 6v09 by Molmil
Crystal structure of human recombinant Beta-2 glycoprotein I short tag (ST-B2GPI)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-glycoprotein 1, SULFATE ION, ...
著者Chen, Z, Ruben, E.A, Planer, W, Chinnaraj, M, Zuo, X, Pengo, V, Macor, P, Tedesco, F, Pozzi, N.
登録日2019-11-18
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献The J-elongated conformation of beta2-glycoprotein I predominates in solution: implications for our understanding of antiphospholipid syndrome.
J.Biol.Chem., 295, 2020
1OIU
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BU of 1oiu by Molmil
Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor
分子名称: 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ...
著者Pratt, D.J, Endicott, J.A, Noble, M.E.M.
登録日2003-06-26
公開日2004-07-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2
J.Med.Chem., 47, 2004
4Y77
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BU of 4y77 by Molmil
Yeast 20S proteasome in complex with Ac-LAF-ep
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-LAF-ep, CHLORIDE ION, ...
著者Huber, E.M, Groll, M.
登録日2015-02-13
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
6P5X
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BU of 6p5x by Molmil
Sirohydrochlorin-bound S. typhimurium siroheme synthase
分子名称: 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid, CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Pennington, J.M, Stroupe, M.E.
登録日2019-05-31
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
6P6X
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BU of 6p6x by Molmil
Crystal structure of voltage-gated sodium channel NavAb G94C/Q150C mutant in the activated state
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Ion transport protein
著者Wisedchaisri, G, Tonggu, L, McCord, E, Gamal El-Din, T.M, Wang, L, Zheng, N, Catterall, W.A.
登録日2019-06-04
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Resting-State Structure and Gating Mechanism of a Voltage-Gated Sodium Channel.
Cell, 178, 2019
6URF
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BU of 6urf by Molmil
Malic enzyme from Mycobacterium tuberculosis
分子名称: GLYCEROL, NAD-dependent malic enzyme
著者Cuthbert, B.J, Burley, K.H, Goulding, C.W, Mathews, E.I, Beste, D.J.
登録日2019-10-23
公開日2020-10-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structural and Molecular Dynamics of Mycobacterium tuberculosis Malic Enzyme, a Potential Anti-TB Drug Target.
Acs Infect Dis., 7, 2021
1U3H
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BU of 1u3h by Molmil
Crystal structure of mouse TCR 172.10 complexed with MHC class II I-Au molecule at 2.4 A
分子名称: H-2 class II histocompatibility antigen, A-U alpha chain, A-U beta chain, ...
著者Maynard, J, Petersson, K, Wilson, D.H, Adams, E.J, Blondelle, S.E, Boulanger, M.J, Wilson, D.B, Garcia, K.C.
登録日2004-07-21
公開日2005-05-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structure of an autoimmune T cell receptor complexed with class II peptide-MHC: insights into MHC bias and antigen specificity
Immunity, 22, 2005

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