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7RHB
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BU of 7rhb by Molmil
A new fluorescent protein darkmRuby at pH 8.0
Descriptor: darkmRuby
Authors:Huang, M, Ng, H.L, Zhang, S, Deng, M, Chu, J.
Deposit date:2021-07-16
Release date:2022-07-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:A Long-range Interaction Affects Brightness and pH Stability of a Dark Fluorescent Protein
To Be Published
7RHD
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BU of 7rhd by Molmil
darkmRuby M94T/F96Y mutant at pH 7.5
Descriptor: 1,2-ETHANEDIOL, darkmRuby M94T/F96Y mutant
Authors:Huang, M, Ng, H.L, Zhang, S, Deng, M, Chu, J.
Deposit date:2021-07-16
Release date:2022-07-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Long-range Interaction Affects Brightness and pH Stability of a Dark Fluorescent Protein
To Be Published
7RHC
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BU of 7rhc by Molmil
A new fluorescent protein darkmRuby at pH 9.0
Descriptor: 1,2-ETHANEDIOL, darkmRuby
Authors:Huang, M, Ng, H.L, Zhang, S, Deng, M, Chu, J.
Deposit date:2021-07-16
Release date:2022-07-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A Long-range Interaction Affects Brightness and pH Stability of a Dark Fluorescent Protein
To Be Published
7OMR
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BU of 7omr by Molmil
Crystal structure of coelenteramide-bound Renilla reniformis luciferase RLuc8-D162A variant
Descriptor: Coelenterazine h 2-monooxygenase, GLYCEROL, N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE
Authors:Schenkmayerova, A, Marek, M.
Deposit date:2021-05-24
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Catalytic mechanism for Renilla-type luciferases
Nat Catal, 2023
7R0T
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BU of 7r0t by Molmil
Crystal structure of exonuclease ExnV1
Descriptor: CHLORIDE ION, Exonuclease ExnV1, MAGNESIUM ION, ...
Authors:Welin, M, Svensson, A, Hakansson, M, Al-Karadaghi, S, Jasilionis, A, Linares-Pasten, J.A, Wang, L, Nordberg Karlsson, E, Ahlqvist, J.
Deposit date:2022-02-02
Release date:2022-11-02
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Crystal structure of DNA polymerase I from Thermus phage G20c.
Acta Crystallogr D Struct Biol, 78, 2022
7R0K
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BU of 7r0k by Molmil
Crystal structure of Polymerase I from phage G20c
Descriptor: DNA polymerase I
Authors:Welin, M, Svensson, A, Hakansson, M, Al-Karadaghi, S, Linares-Pasten, J.A, Jasilionis, A, Nordberg Karlsson, E, Ahlqvist, J.
Deposit date:2022-02-02
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.972 Å)
Cite:Crystal structure of DNA polymerase I from Thermus phage G20c.
Acta Crystallogr D Struct Biol, 78, 2022
7P9I
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BU of 7p9i by Molmil
Structure of E.coli RlmJ in complex with an RNA conjugate (GAA-SAM)
Descriptor: 5'-{[(3S)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine, RNA conjugate (GAA-SAM), Ribosomal RNA large subunit methyltransferase J
Authors:Meynier, V, Catala, M, Oerum, S, Barraud, P, Tisne, C.
Deposit date:2021-07-27
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.594 Å)
Cite:Synthesis of RNA-cofactor conjugates and structural exploration of RNA recognition by an m6A RNA methyltransferase.
Nucleic Acids Res., 50, 2022
6ZXI
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BU of 6zxi by Molmil
Crystal Structure of the OXA-48 Carbapenem-Hydrolyzing Class D beta-Lactamase in Complex with the DBO inhibitor ANT3310
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, CARBON DIOXIDE, ...
Authors:Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S.
Deposit date:2020-07-29
Release date:2021-08-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of ANT3310 , a Novel Broad-Spectrum Serine beta-Lactamase Inhibitor of the Diazabicyclooctane Class, Which Strongly Potentiates Meropenem Activity against Carbapenem-Resistant Enterobacterales and Acinetobacter baumannii.
J.Med.Chem., 63, 2020
3GVP
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BU of 3gvp by Molmil
Human SAHH-like domain of human adenosylhomocysteinase 3
Descriptor: Adenosylhomocysteinase 3, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Siponen, M.I, Wisniewska, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Lehtio, L, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Schutz, P, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Schueler, H.
Deposit date:2009-03-31
Release date:2009-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Human S-adenosyl homocysteine hydrolase-like 2 protein crystal structure
To be Published
7OMD
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BU of 7omd by Molmil
Crystal structure of azacoelenterazine-bound Renilla reniformis luciferase variant RLuc8-D162A
Descriptor: 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one, CHLORIDE ION, Coelenterazine h 2-monooxygenase, ...
Authors:Schenkmayerova, A, Janin, Y.L, Marek, M.
Deposit date:2021-05-21
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Catalytic mechanism for Renilla-type luciferases
Nat Catal, 2023
4RH2
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BU of 4rh2 by Molmil
Crystal structure of human carbonic anhydrase II in complex with 2-(6-hydroxy-3-Oxo-3H-xanthen-9-yl)-5-{3-1-(4-sulfamoyl-phenyl)-1h-[1,2,3]triazol-4-ylmethyl-thioureido}-benzoic acid
Descriptor: 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[({[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl]methyl}carbamothioyl)amino]benzoic acid, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Ferraroni, M.
Deposit date:2014-10-01
Release date:2015-11-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:New classes of carbonic anhydrase inhibitors
to be published
5Y5I
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BU of 5y5i by Molmil
Time-resolved SFX structure of cytochrome P450nor: 20 ms after photo-irradiation of caged NO in the presence of NADH (NO-bound state), light data
Descriptor: GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ...
Authors:Tosha, T, Nomura, T, Nishida, T, Saeki, N, Okubayashi, K, Yamagiwa, R, Sugahara, M, Nakane, T, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Mizohata, E, Yamashita, A, Kanematsu, Y, Takano, Y, Nango, E, Tanaka, R, Nureki, O, Ikemoto, Y, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Iwata, S, Sugimoto, H, Shiro, Y, Kubo, M.
Deposit date:2017-08-09
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.
Nat Commun, 8, 2017
4WIC
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BU of 4wic by Molmil
Immediate-early 1 protein (IE1) of rhesus macaque cytomegalovirus
Descriptor: RhUL123
Authors:Klingl, S, Scherer, M, Sevvana, M, Muller, Y.A, Stamminger, T.
Deposit date:2014-09-25
Release date:2015-07-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Controlled crystal dehydration triggers a space-group switch and shapes the tertiary structure of cytomegalovirus immediate-early 1 (IE1) protein.
Acta Crystallogr.,Sect.D, 71, 2015
1T1V
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BU of 1t1v by Molmil
Crystal Structure of the Glutaredoxin-like Protein SH3BGRL3 at 1.6 A resolution
Descriptor: ACETIC ACID, GLYCEROL, SH3 domain-binding glutamic acid-rich protein-like 3, ...
Authors:Nardini, M, Mazzocco, M, Massaro, M, Maffei, M, Vergano, A, Donadini, A, Scartezzini, M, Bolognesi, M.
Deposit date:2004-04-19
Release date:2004-06-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the glutaredoxin-like protein SH3BGRL3 at 1.6 A resolution
Biochem.Biophys.Res.Commun., 318, 2004
5GJF
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BU of 5gjf by Molmil
Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 3
Descriptor: N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(3-phenylureido)phenyl)thiazole-4-carboxamide, TAK1 kinase - TAB1 chimera fusion protein
Authors:Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K.
Deposit date:2016-06-29
Release date:2016-11-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD)
Chem.Pharm.Bull., 64, 2016
6F4A
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BU of 6f4a by Molmil
Yeast mitochondrial RNA degradosome complex mtEXO
Descriptor: Exoribonuclease II, mitochondrial, RNA (5'-R(P*AP*GP*AP*UP*AP*C)-3'), ...
Authors:Razew, M, Nowak, E, Nowotny, M.
Deposit date:2017-11-29
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:Structural analysis of mtEXO mitochondrial RNA degradosome reveals tight coupling of nuclease and helicase components.
Nat Commun, 9, 2018
5Y5J
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BU of 5y5j by Molmil
Time-resolved SFX structure of cytochrome P450nor: dark-2 data in the presence of NADH (resting state)
Descriptor: GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Tosha, T, Nomura, T, Nishida, T, Saeki, N, Okubayashi, K, Yamagiwa, R, Sugahara, M, Nakane, T, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Mizohata, E, Yamashita, A, Kanematsu, Y, Takano, Y, Nango, E, Tanaka, R, Nureki, O, Ikemoto, Y, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Iwata, S, Sugimoto, H, Shiro, Y, Kubo, M.
Deposit date:2017-08-09
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.
Nat Commun, 8, 2017
8QQJ
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BU of 8qqj by Molmil
CryoEM structure of the type IV pilin PilA5 from Thermus thermophilus
Descriptor: 7-Acetamido-5-acetimidoyl-3,5,7,9-tetradeoxy-L-glycero-L-manno-nonulosonic aci-(1-4)-alpha-D-mannopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose, MAGNESIUM ION, Type IV narrow pilus major component PilA5
Authors:Gold, V.A.M, Neuhaus, A, Gaines, M, Isupov, M, McLaren, M.
Deposit date:2023-10-04
Release date:2024-10-16
Method:ELECTRON MICROSCOPY (2.63 Å)
Cite:CryoEM structure of the type IV pilin PilA4 from Thermus thermophilus
To Be Published
8QT8
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BU of 8qt8 by Molmil
Crystal structure of human Sirt2 in complex with a TNFa-Myr analogue TNFn-34
Descriptor: 3-dodecylsulfanylpropanoic acid, NAD-dependent protein deacetylase sirtuin-2, Peptide-based TNFa-Myr analogue TNFn-34, ...
Authors:Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M.
Deposit date:2023-10-12
Release date:2024-10-23
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
6P23
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BU of 6p23 by Molmil
Structure of a nested set of N-terminally extended MHC I-peptides provide novel insights into antigen processing presentation
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-8 alpha chain, ...
Authors:Li, L, Batliwala, M, Bouvier, M.
Deposit date:2019-05-20
Release date:2019-10-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.595 Å)
Cite:ERAP1 enzyme-mediated trimming and structural analyses of MHC I-bound precursor peptides yield novel insights into antigen processing and presentation.
J.Biol.Chem., 294, 2019
5JUV
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BU of 5juv by Molmil
STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH 6-b-Galactopyranosyl galactose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, PENTAETHYLENE GLYCOL, ...
Authors:Rico-Diaz, A, Ramirez-Escudero, M, Vizoso Vazquez, A, Cerdan, M.E, Becerra, M, Sanz-Aparicio, J.
Deposit date:2016-05-10
Release date:2017-04-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages.
FEBS J., 284, 2017
8K58
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BU of 8k58 by Molmil
The cryo-EM map of close TIEA-TEC complex
Descriptor: 15 kDa RNA polymerase-binding protein, DNA (29-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Zhang, K.N, Liu, Y, Chen, M, Wang, Y, Lin, W, Li, M, Zhang, X, Gao, Y, Gong, Q, Chen, H, Steve, M, Li, S, Zhang, K, Liu, B.
Deposit date:2023-07-21
Release date:2024-07-24
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:TIEA inhibits Sigma70-dependent transcriptions, accelerates elongation speed and elevates transcription error
To Be Published
8K5A
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BU of 8k5a by Molmil
The cryo-EM map of open TIEA-TEC complex
Descriptor: 15 kDa RNA polymerase-binding protein, DNA (29-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Zhang, K.N, Liu, Y, Chen, M, Wang, Y, Lin, W, Li, M, Zhang, X, Gao, Y, Gong, Q, Chen, H, Steve, M, Li, S, Zhang, K, Liu, B.
Deposit date:2023-07-21
Release date:2024-07-24
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:TIEA inhibits sigma70-dependent transcriptions, accelerates elongation speed and elevates transcription error
To Be Published
4WP6
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BU of 4wp6 by Molmil
Structure of the Mex67 LRR domain from Chaetomium thermophilum
Descriptor: mRNA export protein
Authors:Aibara, S, Valkov, E, Lamers, M, Stewart, M.
Deposit date:2014-10-17
Release date:2015-07-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural characterization of the principal mRNA-export factor Mex67-Mtr2 from Chaetomium thermophilum.
Acta Crystallogr.,Sect.F, 71, 2015
5GJG
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BU of 5gjg by Molmil
Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 4
Descriptor: N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(phenylcarbamoyl)phenyl)thiazole-4-carboxamide, TAK1 kinase - TAB1 chimera fusion protein
Authors:Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K.
Deposit date:2016-06-29
Release date:2016-11-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD)
Chem.Pharm.Bull., 64, 2016

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