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5KAI
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BU of 5kai by Molmil
NH3-bound RT XFEL structure of Photosystem II 500 ms after the 2nd illumination (2F) at 2.8 A resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J.
登録日2016-06-01
公開日2016-11-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.80000925 Å)
主引用文献Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
7LM4
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BU of 7lm4 by Molmil
The crystal structure of the I38T mutant PA Endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988503
分子名称: 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, P.J, Jayaraman, S, Rankovic, Z, White, S.W.
登録日2021-02-05
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
6EYC
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BU of 6eyc by Molmil
Re-refinement of the MCM2-7 double hexamer using ISOLDE
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA replication licensing factor MCM2, DNA replication licensing factor MCM3, ...
著者Croll, T.I.
登録日2017-11-11
公開日2018-06-20
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献ISOLDE: a physically realistic environment for model building into low-resolution electron-density maps.
Acta Crystallogr D Struct Biol, 74, 2018
6FOY
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BU of 6foy by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 9
分子名称: 5-[2,3-bis(chloranyl)phenyl]furan-2-carboxylic acid, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Levy, C.W, Leys, D.
登録日2018-02-08
公開日2019-08-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6FP1
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BU of 6fp1 by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 1
分子名称: 2-(6-chloranyl-5,7-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Levy, C.W, Leys, D.
登録日2018-02-08
公開日2019-08-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6FP0
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BU of 6fp0 by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 4
分子名称: (2~{R})-2-[[(2~{R})-5-chloranyl-1-methyl-2,3-dihydroindol-2-yl]carbonylamino]-2-cyclohexyl-ethanoic acid, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Levy, C.W, Leys, D.
登録日2018-02-08
公開日2019-08-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6FOX
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BU of 6fox by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with kynurenine
分子名称: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Levy, C.W, Leys, D.
登録日2018-02-08
公開日2019-08-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6HLK
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BU of 6hlk by Molmil
Hijacking the Hijackers: Escherichia coli Pathogenicity Islands Redirect Helper Phage Packaging for Their Own Benefit.
分子名称: Redirecting phage packaging protein C (RppC)
著者Penades, J.R, Bacarizo, J, Marina, A, Alqasmi, M, Fillol-Salom, A, Roszak, A.W, Ciges-Tomas, J.R.
登録日2018-09-11
公開日2019-07-31
最終更新日2019-09-18
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Hijacking the Hijackers: Escherichia coli Pathogenicity Islands Redirect Helper Phage Packaging for Their Own Benefit.
Mol.Cell, 75, 2019
5H31
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BU of 5h31 by Molmil
Structural basis for dimerization of the death effector domains of Caspase-8
分子名称: Caspase-8
著者Shen, C, Pei, J, Guo, X, Quan, J.
登録日2016-10-19
公開日2017-10-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.16953516 Å)
主引用文献Structural basis for dimerization of the death effector domains of Caspase-8
To Be Published
5HLL
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BU of 5hll by Molmil
Re-refinement of 4g4a: room-temperature X-ray diffraction study of cisplatin and its binding to His15 of HEWL after 14 months chemical exposure in the presence of DMSO.
分子名称: AMMONIA, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Helliwell, J.R.
登録日2016-01-15
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Re-refinement of 4g4a: room-temperature X-ray diffraction study of cisplatin and its binding to His15 of HEWL after 14 months chemical exposure in the presence of DMSO.
Acta Crystallogr F Struct Biol Commun, 72, 2016
5I6U
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BU of 5i6u by Molmil
The crystal structure of PI3Kdelta with compound 32
分子名称: 2-[(1S)-1-({6-amino-5-[(1H-pyrazol-4-yl)ethynyl]pyrimidin-4-yl}amino)ethyl]-5-chloro-3-phenylquinazolin-4(3H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Somoza, J.R, Villasenor, A.G.
登録日2016-02-16
公開日2017-02-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.842 Å)
主引用文献The crystal structure of PI3Kdelta with compound 32
To Be Published
7OS1
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BU of 7os1 by Molmil
Cryo-EM structure of Brr2 in complex with Fbp21
分子名称: U5 small nuclear ribonucleoprotein 200 kDa helicase, WW domain-binding protein 4
著者Bergfort, A, Hilal, T, Weber, G, Wahl, M.C.
登録日2021-06-07
公開日2022-02-23
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The intrinsically disordered TSSC4 protein acts as a helicase inhibitor, placeholder and multi-interaction coordinator during snRNP assembly and recycling.
Nucleic Acids Res., 50, 2022
7OS2
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BU of 7os2 by Molmil
Cryo-EM structure of Brr2 in complex with Jab1/MPN and C9ORF78
分子名称: Pre-mRNA-processing-splicing factor 8, Telomere length and silencing protein 1 homolog, U5 small nuclear ribonucleoprotein 200 kDa helicase
著者Bergfort, A, Hilal, T, Weber, G, Wahl, M.C.
登録日2021-06-07
公開日2022-02-23
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献The intrinsically disordered TSSC4 protein acts as a helicase inhibitor, placeholder and multi-interaction coordinator during snRNP assembly and recycling.
Nucleic Acids Res., 50, 2022
7PQE
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BU of 7pqe by Molmil
Structure of SidJ/CaM bound to SdeA in post-catalysis state
分子名称: CALCIUM ION, Calmodulin, Calmodulin-dependent glutamylase SidJ, ...
著者Adams, M, Bhogaraju, S.
登録日2021-09-17
公開日2021-10-06
最終更新日2021-11-17
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural basis for protein glutamylation by the Legionella pseudokinase SidJ.
Nat Commun, 12, 2021
7PTH
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BU of 7pth by Molmil
C54S mutant of choline-sulfatase from E. meliloti CECT4857 bound to choline
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Gavira, J.A, Martinez-Rodriguez, S.
登録日2021-09-27
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural insights into choline-O-sulfatase reveal the molecular determinants for ligand binding.
Acta Crystallogr D Struct Biol, 78, 2022
7PV9
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BU of 7pv9 by Molmil
Listeria monocytogene InlB (internalin B) residues 36-392 (internalin domain and B-repeat)
分子名称: Internalin B
著者Geerds, C, Niemann, H.H.
登録日2021-10-01
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献A recurring packing contact in crystals of InlB pinpoints functional binding sites in the internalin domain and the B repeat.
Acta Crystallogr D Struct Biol, 78, 2022
7PQN
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BU of 7pqn by Molmil
Catalytic fragment of MASP-2 in complex with ecotin
分子名称: Ecotin, GLYCEROL, Mannan-binding lectin serine protease 2 A chain, ...
著者Harmat, V, Fodor, K, Heja, D.
登録日2021-09-17
公開日2022-05-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.400015 Å)
主引用文献Synergy of protease-binding sites within the ecotin homodimer is crucial for inhibition of MASP enzymes and for blocking lectin pathway activation.
J.Biol.Chem., 298, 2022
7PQO
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BU of 7pqo by Molmil
Catalytic fragment of MASP-1 in complex with P1 site mutant ecotin
分子名称: Ecotin, GLYCEROL, Mannan-binding lectin serine protease 1, ...
著者Harmat, V, Fodor, K, Heja, D.
登録日2021-09-17
公開日2022-05-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.39 Å)
主引用文献Synergy of protease-binding sites within the ecotin homodimer is crucial for inhibition of MASP enzymes and for blocking lectin pathway activation.
J.Biol.Chem., 298, 2022
5TIS
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BU of 5tis by Molmil
Room temperature XFEL structure of the native, doubly-illuminated photosystem II complex
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Fuller, F, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Hussein, R, Zhang, M, Douthit, L, Kubin, M, de Lichtenberg, C, Pham, L.V, Nilsson, H, Cheah, M.H, Shevela, D, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Pastor, E, Weninger, C, Fransson, T, Lassalle, L, Braeuer, P, Aller, P, Docker, P.T, Andi, B, Orville, A.M, Glownia, J.M, Nelson, S, Sikorski, M, Zhu, D, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Watermann, D.G, Evans, G, Wernet, P, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J.
登録日2016-10-03
公開日2016-11-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.25000381 Å)
主引用文献Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
4FE1
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BU of 4fe1 by Molmil
Improving the Accuracy of Macromolecular Structure Refinement at 7 A Resolution
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Fromme, R, Adams, P.D, Fromme, P, Levitt, M, Schroeder, G.F, Brunger, A.T.
登録日2012-05-29
公開日2012-08-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (4.9228 Å)
主引用文献Improving the accuracy of macromolecular structure refinement at 7 A resolution.
Structure, 20, 2012
5V74
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BU of 5v74 by Molmil
Structure of the intact Haliangium ochraceum microcompartment shell
分子名称: Ethanolamine utilization protein EutN/carboxysome structural protein Ccml, Microcompartments protein
著者Sutter, M, Kerfeld, C.A.
登録日2017-03-17
公開日2017-06-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.51015472 Å)
主引用文献Assembly principles and structure of a 6.5-MDa bacterial microcompartment shell.
Science, 356, 2017
6BX8
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BU of 6bx8 by Molmil
Human Mesotrypsin (PRSS3) Complexed with Tissue Factor Pathway Inhibitor Variant (TFPI1-KD1-K15R-I17C-I34C)
分子名称: SULFATE ION, Tissue factor pathway inhibitor, Trypsin-3
著者Coban, M, Sankaran, B, Cohen, I, Hockla, A, Papo, N, Radisky, E.S.
登録日2017-12-18
公開日2019-02-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Disulfide engineering of human Kunitz-type serine protease inhibitors enhances proteolytic stability and target affinity toward mesotrypsin.
J. Biol. Chem., 294, 2019
6DA1
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BU of 6da1 by Molmil
ETS1 in complex with synthetic SRR mimic
分子名称: Protein C-ets-1, SULFATE ION, serine-rich region (SRR) peptide
著者Perez-Borrajero, C, Okon, M, Lin, C.S, Scheu, K, Murphy, M.E.P, Graves, B.J, McIntosh, L.P.
登録日2018-05-01
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.000127 Å)
主引用文献The Biophysical Basis for Phosphorylation-Enhanced DNA-Binding Autoinhibition of the ETS1 Transcription Factor.
J. Mol. Biol., 431, 2019
6DAT
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BU of 6dat by Molmil
ETS1 in complex with synthetic SRR mimic
分子名称: Protein C-ets-1, SULFATE ION, serine-rich region (SRR) peptide
著者Perez-Borrajero, C, Okon, M, Lin, C.S, Scheu, K, Murphy, M.E.P, Graves, B.J, McIntosh, L.P.
登録日2018-05-02
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.35002637 Å)
主引用文献The Biophysical Basis for Phosphorylation-Enhanced DNA-Binding Autoinhibition of the ETS1 Transcription Factor.
J. Mol. Biol., 431, 2019
6DHH
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BU of 6dhh by Molmil
RT XFEL structure of Photosystem II 400 microseconds after the second illumination at 2.2 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K.
登録日2018-05-20
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018

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