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6HPY
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BU of 6hpy by Molmil
Crystal structure of ENL (MLLT1) in complex with compound 12
分子名称: 1,2-ETHANEDIOL, 3-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]propanoic acid, Protein ENL, ...
著者Heidenreich, D, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2018-09-22
公開日2018-11-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).
J.Med.Chem., 61, 2018
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2024-11-06
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
7SEP
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BU of 7sep by Molmil
Cryo-EM Structure of the RT component of the HIV-1 Pol Polyprotein
分子名称: Gag-Pol polyprotein
著者Lyumkis, D, Passos, D, Arnold, E, Harrison, J.J.E.
登録日2021-10-01
公開日2022-07-27
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM structure of the HIV-1 Pol polyprotein provides insights into virion maturation.
Sci Adv, 8, 2022
2BE9
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BU of 2be9 by Molmil
Crystal structure of the CTP-liganded (T-State) aspartate transcarbamoylase from the extremely thermophilic archaeon Sulfolobus acidocaldarius
分子名称: Aspartate carbamoyltransferase, Aspartate carbamoyltransferase regulatory chain, CYTIDINE-5'-TRIPHOSPHATE, ...
著者De Vos, D, Savvides, S.N, Van Beeumen, J.J.
登録日2005-10-23
公開日2006-10-31
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of Sulfolobus acidocaldarius aspartate carbamoyltransferase in complex with its allosteric activator CTP.
Biochem.Biophys.Res.Commun., 372, 2008
8A12
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BU of 8a12 by Molmil
Plasmodium falciparum Myosin A full-length, post-rigor state complexed to Mg.ATP-gamma-S
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Moussaoui, D, Robblee, J.P, Auguin, D, Fisher, F, Fagnant, P.M, MacFarlane, J.E, Mueller-Dieckmann, C, Baum, J, Robert-Paganin, J, Trybus, K.M, Houdusse, A.
登録日2022-05-31
公開日2023-06-21
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Mechanism of small molecule inhibition of Plasmodium falciparum myosin A informs antimalarial drug design.
Nat Commun, 14, 2023
8ABQ
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BU of 8abq by Molmil
Structure of the SNX1-SNX5 complex, Pt derivative
分子名称: PLATINUM (II) ION, Sorting nexin-1, Sorting nexin-5
著者Lopez-Robles, C, Scaramuzza, S, Astorga-Simon, E.N, Banos-Mateos, S, Vidaurrazaga, A, Rojas, A.L, Castano, D, Hierro, A.
登録日2022-07-04
公開日2023-06-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Architecture of the ESCPE-1 membrane coat.
Nat.Struct.Mol.Biol., 30, 2023
8AFZ
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BU of 8afz by Molmil
Architecture of the ESCPE-1 membrane coat
分子名称: Cation-independent mannose-6-phosphate receptor, Sorting nexin-1, Sorting nexin-5
著者Lopez-Robles, C, Scaramuzza, S, Astorga-Simon, E, Ishida, M, Williamsom, C.D, Banos-Mateos, S, Gil-Carton, D, Romero, M, Vidaurrazaga, A, Fernandez-Recio, J, Rojas, A.L, Bonifacino, J.S, Castano-Diez, D, Hierro, A.
登録日2022-07-18
公開日2023-06-21
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (10 Å)
主引用文献Architecture of the ESCPE-1 membrane coat.
Nat.Struct.Mol.Biol., 30, 2023
2BGF
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BU of 2bgf by Molmil
NMR structure of Lys48-linked di-ubiquitin using chemical shift perturbation data together with RDCs and 15N-relaxation data
分子名称: DI-UBIQUITIN
著者Van Dijk, A.D.J, Fushman, D, Bonvin, A.M.J.J.
登録日2004-12-22
公開日2005-08-31
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Various Strategies of Using Residual Dipolar Couplings in NMR-Driven Protein Docking: Application to Lys48-Linked Di-Ubiquitin and Validation Against 15N-Relaxation Data
Proteins: Struct., Funct., Bioinf., 60, 2005
7LUS
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BU of 7lus by Molmil
IgG2 Fc Charge Pair Mutation version 1 (CPMv1)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin heavy constant gamma 2
著者Sudom, A, Whittington, D, Garces, F, Wang, Z.
登録日2021-02-23
公開日2021-09-15
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Next generation Fc scaffold for multispecific antibodies.
Iscience, 24, 2021
1Y94
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BU of 1y94 by Molmil
Crystal structure of the G16S/N17T/P19A/S20A/N67D Variant Of Bovine seminal Ribonuclease
分子名称: Seminal ribonuclease
著者Picone, D, Di Fiore, A, Ercole, C, Franzese, M, Sica, F, Tomaselli, S, Mazzarella, L.
登録日2004-12-14
公開日2004-12-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Role of the Hinge Loop in Domain Swapping: THE SPECIAL CASE OF BOVINE SEMINAL RIBONUCLEASE.
J.Biol.Chem., 280, 2005
8PBO
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BU of 8pbo by Molmil
Deep interactome learning for generative drug design
分子名称: 3-[2-fluoranyl-4-[3-[2-fluoranyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)phenoxy]propoxy]phenyl]propanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma, ...
著者Hakansson, M, Focht, D, Atz, K, Schneider, G.
登録日2023-06-09
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Prospective de novo drug design with deep interactome learning.
Nat Commun, 15, 2024
8OTO
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BU of 8oto by Molmil
SARS-CoV-2 nsp10-16 methyltransferase in complex with AMP
分子名称: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Kremling, V, Sprenger, J, Oberthuer, D.
登録日2023-04-21
公開日2023-05-03
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug discovery
Elife, 2024
8OSX
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BU of 8osx by Molmil
SARS-CoV-2 nsp10-16 methyltransferase in complex with ATP
分子名称: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Kremling, V, Sprenger, J, Oberthuer, D.
登録日2023-04-20
公開日2023-05-31
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug discovery
Elife, 2024
8P7G
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BU of 8p7g by Molmil
Structural characterization of PHOX2B and its DNA interactions shed lights into the molecular basis of the + 7Ala variant pathogenicity in CCHS
分子名称: Paired mesoderm homeobox protein 2B
著者Russo, L, Diana, D, Fattorusso, R.
登録日2023-05-30
公開日2024-05-15
最終更新日2024-06-26
実験手法SOLUTION NMR
主引用文献Structural characterization of PHOX2B and its DNA interaction shed light on the molecular basis of the +7Ala variant pathogenicity in CCHS.
Chem Sci, 15, 2024
7BYI
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BU of 7byi by Molmil
Structure of SHMT2 in complex with CBX
分子名称: CARBENOXOLONE, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
著者Li, L, Chen, Y, Lu, D, Zhang, C, Su, D.
登録日2020-04-23
公開日2021-09-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Structure of SHMT2 with CBX
To Be Published
8OTR
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BU of 8otr by Molmil
SARS-CoV-2 nsp10-16 methyltransferase in complex with SAM analog BDH 33959089
分子名称: (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-(1-methylpiperidin-4-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide, 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, ...
著者Kremling, V, Sprenger, J, Oberthuer, D.
登録日2023-04-21
公開日2023-05-24
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug discovery
Elife, 2024
6GOY
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BU of 6goy by Molmil
Structure of mEos4b in the green fluorescent state
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者De Zitter, E, Adam, V, Byrdin, M, Van Meervelt, L, Dedecker, P, Bourgeois, D.
登録日2018-06-04
公開日2019-05-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Mechanistic investigation of mEos4b reveals a strategy to reduce track interruptions in sptPALM.
Nat.Methods, 16, 2019
6RNZ
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BU of 6rnz by Molmil
Crystal structure of the N-terminal HTH DNA-binding domain of the essential repressor DdrO from radiation-resistant Deinococcus bacteria (Deinococcus deserti)
分子名称: GLYCEROL, HTH-type transcriptional regulator DdrOC
著者Arnoux, P, Siponen, M.I, Pignol, D, Brandelet, G, De Groot, A, Blanchard, L.
登録日2019-05-10
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal structure of the transcriptional repressor DdrO: insight into the metalloprotease/repressor-controlled radiation response in Deinococcus.
Nucleic Acids Res., 47, 2019
6RO6
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BU of 6ro6 by Molmil
Crystal structure of the C-terminal dimerization domain of the essential repressor DdrO from radiation-resistant Deinococcus bacteria (Deinococcus deserti)
分子名称: HTH-type transcriptional regulator DdrOC, SULFATE ION
著者Pignol, D, Arnoux, P, Siponen, M.I, Brandelet, G, De Groot, A, Blanchard, L.
登録日2019-05-10
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Crystal structure of the transcriptional repressor DdrO: insight into the metalloprotease/repressor-controlled radiation response in Deinococcus.
Nucleic Acids Res., 47, 2019
1QMA
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BU of 1qma by Molmil
Nuclear Transport Factor 2 (NTF2) W7A mutant
分子名称: NUCLEAR TRANSPORT FACTOR 2
著者Bayliss, R, Ribbeck, K, Akin, D, Kent, H.M, Feldherr, C.M, Gorlich, D, Stewart, M.J.
登録日1999-09-23
公開日2000-02-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Interaction Betweeen Ntf2 and Xfxfg-Containing Nucleoporins is Required to Mediate Nuclear Import of Ran-Gdp
J.Mol.Biol., 293, 1999
8OT0
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BU of 8ot0 by Molmil
SARS-CoV-2 nsp10-16 methyltransferase in complex with MTA and glycine
分子名称: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Kremling, V, Sprenger, J, Oberthuer, D, Falke, S.
登録日2023-04-20
公開日2023-05-10
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug discovery
Elife, 2024
8PPR
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BU of 8ppr by Molmil
Structure of the human outer kinetochore KMN network complex
分子名称: Kinetochore protein Spc24, Kinetochore protein Spc25, Kinetochore scaffold 1, ...
著者Yatskevich, S, Barford, D.
登録日2023-07-08
公開日2024-03-20
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure of the human outer kinetochore KMN network complex.
Nat.Struct.Mol.Biol., 31, 2024
4RUO
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BU of 4ruo by Molmil
Crystal structure of zVDR L337H mutant-gemini complex
分子名称: 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E), ...
著者Huet, T, Moras, D, Rochel, N.
登録日2014-11-21
公開日2015-10-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.805 Å)
主引用文献A vitamin D receptor selectively activated by gemini analogs reveals ligand dependent and independent effects.
Cell Rep, 10, 2015
4WZB
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BU of 4wzb by Molmil
Crystal Structure of MgAMPPCP-bound Av2-Av1 complex
分子名称: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (II) ION, FE(8)-S(7) CLUSTER, ...
著者Tezcan, F.A, Kaiser, J.T, Mustafi, D, Walton, M.Y, Howard, J.B, Rees, D.C.
登録日2014-11-19
公開日2015-02-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Nitrogenase complexes: multiple docking sites for a nucleotide switch protein.
Science, 309, 2005
8HWQ
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BU of 8hwq by Molmil
Cryo-EM structure of human pannexin 3 with C-terminal truncated
分子名称: Pannexin-3
著者Zhang, H, Zhang, H, Wang, D.
登録日2023-01-02
公開日2024-01-17
実験手法ELECTRON MICROSCOPY (3.58 Å)
主引用文献Cryo-EM structure of human pannexin 3 with C-terminal truncated
To Be Published

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