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6DHO
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BU of 6dho by Molmil
RT XFEL structure of the two-flash state of Photosystem II (2F, S3-rich) at 2.07 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 (2.07 Å)
主引用文献Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
5ZYR
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BU of 5zyr by Molmil
Crystal structure of the reductase (C1) component of p-hydroxyphenylacetate 3-hydroxylase (HPAH) from Acinetobacter baumannii
分子名称: ACETATE ION, FLAVIN MONONUCLEOTIDE, p-hydroxyphenylacetate 3-hydroxylase, ...
著者Oonanant, W, Phongsak, T, Sucharitakul, J, Chaiyen, P, Yuvaniyama, J.
登録日2018-05-28
公開日2019-06-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.20001316 Å)
主引用文献Crystal structure of the reductase (C1) component of p-hydroxyphenylacetate 3-hydroxylase (HPAH) from Acinetobacter baumannii
To Be Published
7JMC
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BU of 7jmc by Molmil
Sheep Connexin-50 at 2.5 angstroms resolution, Lipid Class 3
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction alpha-8 protein
著者Flores, J.A, Haddad, B.G, Dolan, K.D, Myers, J.B, Yoshioka, C.C, Copperman, J, Zuckerman, D.M, Reichow, S.L.
登録日2020-07-31
公開日2020-09-09
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Connexin-46/50 in a dynamic lipid environment resolved by CryoEM at 1.9 angstrom.
Nat Commun, 11, 2020
7JIZ
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BU of 7jiz by Molmil
ScDLH
分子名称: Dienelactone hydrolase family protein
著者Schnettler Fernandez, J.D.F, Campbell, E.C, Hollfelder, F.H.
登録日2020-07-24
公開日2022-01-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献ScDLH
To Be Published
7JY2
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BU of 7jy2 by Molmil
Z-DNA joint X-ray/Neutron
分子名称: Chains: A,B
著者Harp, J.M, Coates, L, Egli, M.
登録日2020-08-28
公開日2021-04-28
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION
主引用文献Water structure around a left-handed Z-DNA fragment analyzed by cryo neutron crystallography.
Nucleic Acids Res., 49, 2021
5KAF
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BU of 5kaf by Molmil
RT XFEL structure of Photosystem II in the dark state at 3.0 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 (3.00001 Å)
主引用文献Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
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
5MJL
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BU of 5mjl by Molmil
Single-shot pink beam serial crystallography: Proteinase K
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Meents, A, Oberthuer, D, Lieske, J, Srajer, V.
登録日2016-12-01
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.21013784 Å)
主引用文献Pink-beam serial crystallography.
Nat Commun, 8, 2017
8TUA
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BU of 8tua by Molmil
Full-length P-Rex1 in complex with inositol 1,3,4,5-tetrakisphosphate (IP4)
分子名称: INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 1 protein
著者Cash, J.N, Tesmer, J.J.G.
登録日2023-08-15
公開日2024-04-10
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Full-length P-Rex1 in complex with inositol 1,3,4,5-tetrakisphosphate (IP4)
Elife, 2024
5MJG
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BU of 5mjg by Molmil
Single-shot pink beam serial crystallography: Thaumatin
分子名称: S,R MESO-TARTARIC ACID, SODIUM ION, Thaumatin-1
著者Meents, A, Oberthuer, D, Lieske, J, Srajer, V.
登録日2016-12-01
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Single-shot pink beam serial crystallography: Thaumatin
To Be Published
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
1VKA
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BU of 1vka by Molmil
Southeast Collaboratory for Structural Genomics: Hypothetical Human Protein Q15691 N-Terminal Fragment
分子名称: Microtubule-associated protein RP/EB family member 1
著者Liu, Z.-J, Tempel, W, Schubot, F.D, Shah, A, Dailey, T.A, Mayer, M.R, Rose, J.P, Dailey, H.A, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-05-10
公開日2004-07-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Southeast Collaboratory for Structural Genomics: Hypothetical Human Protein Q15691 N-Terminal Fragment
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
7PPL
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BU of 7ppl by Molmil
SHP2 catalytic domain in complex with IRS1 (625-639) phosphopeptide (pTyr-632, pSer-636)
分子名称: ETHANOL, GLYCEROL, Insulin receptor substrate 1, ...
著者Sok, P, Zeke, A, Remenyi, A.
登録日2021-09-14
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling.
Nat Commun, 13, 2022
7PPN
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BU of 7ppn by Molmil
SHP2 catalytic domain in complex with CD28 (183-198) phosphopeptide (pTyr-191, p-Thr-195)
分子名称: GLYCEROL, T-cell-specific surface glycoprotein CD28, Tyrosine-protein phosphatase non-receptor type 11,Tyrosine-protein phosphatase non-receptor type 11
著者Sok, P, Zeke, A, Remenyi, A.
登録日2021-09-14
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling.
Nat Commun, 13, 2022
7PPM
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BU of 7ppm by Molmil
SHP2 catalytic domain in complex with IRS1 (889-901) phosphopeptide (pSer-892, pTyr-896)
分子名称: GLYCEROL, Insulin receptor substrate 1, Tyrosine-protein phosphatase non-receptor type 11,Tyrosine-protein phosphatase non-receptor type 11
著者Sok, P, Zeke, A, Remenyi, A.
登録日2021-09-14
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling.
Nat Commun, 13, 2022
7PJH
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BU of 7pjh by Molmil
Crystal structure of the human spliceosomal maturation factor AAR2 bound to the RNAse H domain of PRPF8
分子名称: Pre-mRNA-processing-splicing factor 8, Protein AAR2 homolog
著者Preussner, M, Santos, K, Heroven, A.C, Alles, J, Heyd, F, Wahl, M.C, Weber, G.
登録日2021-08-24
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural and functional investigation of the human snRNP assembly factor AAR2 in complex with the RNase H-like domain of PRPF8.
Acta Crystallogr D Struct Biol, 78, 2022
7PUX
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BU of 7pux by Molmil
Structure of p97 N-D1(L198W) in complex with Fragment TROLL2
分子名称: (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
著者Bothe, S, Schindelin, H.
登録日2021-10-01
公開日2022-12-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Fragment screening using biolayer interferometry reveals ligands targeting the SHP-motif binding site of the AAA+ ATPase p97
Commun Chem, 5, 2022
7QYH
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BU of 7qyh by Molmil
Structure of plasmepsin II in complex with 2-aminoquinazolin-4(3H)-one based open-flap inhibitor
分子名称: 2-azanyl-3-[[(2~{R})-oxolan-2-yl]methyl]-7-(5-phenylpentyl)quinazolin-4-one, Plasmepsin II
著者Bobrovs, R, Jaudzems, K.
登録日2022-01-28
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献Exploring Aspartic Protease Inhibitor Binding to Design Selective Antimalarials.
J.Chem.Inf.Model., 62, 2022

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