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2X1N
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BU of 2x1n by Molmil
Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design
Descriptor: 2-METHYL-N-[(1Z)-3-NITROCYCLOHEXA-2,4-DIEN-1-YLIDENE]-4,5-DIHYDRO[1,3]THIAZOLO[4,5-H]QUINAZOLIN-8-AMINE, ACE-LEU-ASN-PFF-NH2, CELL DIVISION PROTEIN KINASE 2, ...
Authors:Kontopidis, G, Andrews, M.J, McInnes, C, Plater, A, Innes, L, Renachowski, S, Cowan, A, Fischer, P.M, McIntyre, N.A, Griffiths, G, Barnett, A.L, Slawin, A.M.Z, Jackson, W, Thomas, M, Zheleva, D.I, Wang, S, Blake, D.G, Westwood, N.J.
Deposit date:2009-12-31
Release date:2010-02-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Design, Synthesis, and Evaluation of 2-Methyl- and 2-Amino-N-Aryl-4,5-Dihydrothiazolo[4,5-H]Quinazolin-8-Amines as Ring-Constrained 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Cyclin-Dependent Kinase Inhibitors.
J.Med.Chem., 53, 2010
3Q1K
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BU of 3q1k by Molmil
The Crystal Structure of the D-alanyl-alanine Synthetase A from Salmonella enterica Typhimurium Complexed with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase A, FORMIC ACID, ...
Authors:Zhang, R, Maltseva, N, Papazisi, L, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-12-17
Release date:2011-01-12
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:The Crystal Structure of the D-alanyl-alanine Synthetase A from Salmonella enterica Typhimurium Complexed with ADP
To be Published
3PYZ
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BU of 3pyz by Molmil
Crystal structure of bifunctional folylpolyglutamate synthase/dihydrofolate synthase complexed with AMPPNP and Mn ion from Yersinia pestis c092
Descriptor: Bifunctional folylpolyglutamate synthase/dihydrofolate synthase, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Nocek, B, Makowska-Grzyska, M, Maltseva, N, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-12-13
Release date:2011-01-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of bifunctional folylpolyglutamate synthase/dihydrofolate synthase complexed with AMPpnp and Mn ion from Yersinia pestis c092
TO BE PUBLISHED
7ETW
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BU of 7etw by Molmil
Cryo-EM structure of Scap/Insig complex in the present of digitonin.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Digitonin, Insulin-induced gene 2 protein, ...
Authors:Yan, R, Cao, P, Song, W, Li, Y, Wang, T, Qian, H, Yan, C, Yan, N.
Deposit date:2021-05-14
Release date:2021-06-23
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural basis for sterol sensing by Scap and Insig
Cell Rep, 35, 2021
3OPK
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BU of 3opk by Molmil
Crystal structure of divalent-cation tolerance protein CutA from Salmonella enterica subsp. enterica serovar Typhimurium str. LT2
Descriptor: ACETATE ION, Divalent-cation tolerance protein cutA, MAGNESIUM ION, ...
Authors:Nocek, B, Mulligan, R, Papazisi, L, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-09-01
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of divalent-cation tolerance protein CutA from Salmonella enterica subsp. enterica serovar Typhimurium str. LT2
TO BE PUBLISHED
7DFV
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BU of 7dfv by Molmil
Cryo-EM structure of plant NLR RPP1 tetramer core part
Descriptor: NAD+ hydrolase (NADase)
Authors:Ma, S.C, Lapin, D, Liu, L, Sun, Y, Song, W, Zhang, X.X, Logemann, E, Yu, D.L, Wang, J, Jirschitzka, J, Han, Z.F, SchulzeLefert, P, Parker, J.E, Chai, J.J.
Deposit date:2020-11-10
Release date:2020-12-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Direct pathogen-induced assembly of an NLR immune receptor complex to form a holoenzyme.
Science, 370, 2020
7F18
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BU of 7f18 by Molmil
Crystal Structure of a mutant of acid phosphatase from Pseudomonas aeruginosa (Q57H/W58P/D135R)
Descriptor: Acid phosphatase
Authors:Xu, X, Hou, X.D, Song, W, Yin, D.J, Rao, Y.J, Liu, L.M.
Deposit date:2021-06-08
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Local Electric Field Modulated Reactivity of Pseudomonas aeruginosa Acid Phosphatase for Enhancing Phosphorylation of l-Ascorbic Acid
Acs Catalysis, 11, 2021
7F17
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BU of 7f17 by Molmil
Crystal Structure of acid phosphatase
Descriptor: Acid phosphatase
Authors:Xu, X, Hou, X.D, Song, W, Rao, Y.J, Liu, L.M, Wu, J.
Deposit date:2021-06-08
Release date:2021-10-27
Last modified:2022-05-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Local Electric Field Modulated Reactivity of Pseudomonas aeruginosa Acid Phosphatase for Enhancing Phosphorylation of l-Ascorbic Acid
Acs Catalysis, 11, 2021
3QCZ
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BU of 3qcz by Molmil
Crystal structure of bifunctional folylpolyglutamate synthase/dihydrofolate synthase with Mn, AMPPNP and L-Glutamate bound
Descriptor: Dihydrofolate synthase / folylpolyglutamate synthase, GLUTAMIC ACID, GLYCEROL, ...
Authors:Nocek, B, Makowska-Grzyska, M, Maltseva, N, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-01-17
Release date:2011-02-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of bifunctional folylpolyglutamate synthase/dihydrofolate synthase with Mn, AMPPNP and L-Glutamate bound
TO BE PUBLISHED
7CRC
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BU of 7crc by Molmil
Cryo-EM structure of plant NLR RPP1 tetramer in complex with ATR1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Avirulence protein ATR1, ...
Authors:Ma, S.C, Lapin, D, Liu, L, Sun, Y, Song, W, Zhang, X.X, Logemann, E, Yu, D.L, Wang, J, Jirschitzka, J, Han, Z.F, SchulzeLefert, P, Parker, J.E, Chai, J.J.
Deposit date:2020-08-13
Release date:2020-12-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Direct pathogen-induced assembly of an NLR immune receptor complex to form a holoenzyme.
Science, 370, 2020
3QBO
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BU of 3qbo by Molmil
Crystal structure of phosphoserine aminotransferase from Yersinia pestis CO92
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Phosphoserine aminotransferase
Authors:Nocek, B, Maltseva, N, Papazisi, L, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-01-13
Release date:2011-02-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Crystal structure of phosphoserine aminotransferase from Yersinia pestis CO92
TO BE PUBLISHED
8PN6
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BU of 8pn6 by Molmil
Crystal Structure of co-expressed NS2B-NS3 Protease from Zika Virus
Descriptor: Genome polyprotein, Serine protease subunit NS2B
Authors:Ni, X, Fairhead, M, Balcomb, B.H, Aschenbrenner, J.C, Ferreira, L.M, Godoy, A.S, Lithgo, R.M, MacLean, E.M, Marples, P.G, Thompson, W, Tomlinson, C.W.E, Szommer, T, Wild, C, Wright, N.D, Koekemoer, L, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2023-06-29
Release date:2023-08-16
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Crystal Structure of co-expressed NS2B-NS3 Protease from Zika Virus
To Be Published
3C38
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BU of 3c38 by Molmil
Crystal structure of the periplasmic domain of Vibrio Cholerae LuxQ
Descriptor: Autoinducer 2 sensor kinase/phosphatase luxQ
Authors:Slama, B, Hendrickson, W.
Deposit date:2008-01-27
Release date:2009-01-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the periplasmic domain of Vibrio Cholerae LuxQ
To be Published
8R5J
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BU of 8r5j by Molmil
Crystal structure of MERS-CoV main protease
Descriptor: Non-structural protein 11
Authors:Balcomb, B.H, Fairhead, M, Koekemoer, L, Lithgo, R.M, Aschenbrenner, J.C, Chandran, A.V, Godoy, A.S, Lukacik, P, Marples, P.G, Mazzorana, M, Ni, X, Strain-Damerell, C, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2023-11-16
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Crystal structure of MERS-CoV main protease
To Be Published
3C30
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BU of 3c30 by Molmil
Crystal structure of the Vibrio Cholerae LuxQ periplasmic domain (SeMet)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Autoinducer 2 sensor kinase/phosphatase luxQ
Authors:Slama, B, Hendrickson, W.
Deposit date:2008-01-27
Release date:2009-02-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the Vibrio Cholerae LuxQ periplasmic domain (SeMet)
To be Published
4TS2
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BU of 4ts2 by Molmil
Crystal structure of the Spinach RNA aptamer in complex with DFHBI, magnesium ions
Descriptor: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Warner, K.D, Chen, M.C, Song, W, Strack, R.L, Thorn, A, Jaffrey, S.R, Ferre-D'Amare, A.R.
Deposit date:2014-06-18
Release date:2014-07-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.884 Å)
Cite:Structural basis for activity of highly efficient RNA mimics of green fluorescent protein.
Nat.Struct.Mol.Biol., 21, 2014
3CWC
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BU of 3cwc by Molmil
Crystal structure of putative glycerate kinase 2 from Salmonella typhimurium LT2
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Putative glycerate kinase 2
Authors:Osipiuk, J, Zhou, M, Holzle, D, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2008-04-21
Release date:2008-07-08
Last modified:2014-04-02
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:X-ray crystal structure of putative glycerate kinase 2 from Salmonella typhimurium LT2.
To be Published
4TS0
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BU of 4ts0 by Molmil
Crystal structure of the Spinach RNA aptamer in complex with DFHBI, barium ions
Descriptor: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, BARIUM ION, POTASSIUM ION, ...
Authors:Warner, K.D, Chen, M.C, Song, W, Strack, R.L, Thorn, A, Jaffrey, S.R, Ferre-D'Amare, A.R.
Deposit date:2014-06-18
Release date:2014-07-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for activity of highly efficient RNA mimics of green fluorescent protein.
Nat.Struct.Mol.Biol., 21, 2014
3EFE
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BU of 3efe by Molmil
The crystal structure of the thiJ/pfpI family protein from Bacillus anthracis
Descriptor: SULFATE ION, ThiJ/pfpI family protein
Authors:Zhang, R, Xu, X, Cui, H, Savchenko, A, Edwards, A, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2008-09-08
Release date:2008-09-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystal structure of the thiJ/pfpI family protein from Bacillus anthracis
To be Published
3DQQ
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BU of 3dqq by Molmil
The crystal structure of the putative tRNA synthase from Salmonella typhimurium LT2
Descriptor: Putative tRNA synthase
Authors:Zhang, R, Gu, M, Zhou, M, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2008-07-09
Release date:2008-07-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The crystal structure of the putative tRNA synthase from Salmonella typhimurium LT2
To be Published, 2008
3E7N
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BU of 3e7n by Molmil
Crystal structure of d-ribose high-affinity transport system from salmonella typhimurium lt2
Descriptor: 1,2-ETHANEDIOL, D-ribose high-affinity transport system
Authors:Nocek, B, Maltseva, N, Gu, M, Joachimiak, A, Anderson, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2008-08-18
Release date:2008-08-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structure of d-ribose high-affinity transport system from salmonella typhimurium lt2
To be Published
4D08
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BU of 4d08 by Molmil
PDE2a catalytic domain in complex with a brain penetrant inhibitor
Descriptor: 1-(5-butoxypyridin-3-yl)-4-methyl-8-(morpholin-4-ylmethyl)[1,2,4]triazolo[4,3-a]quinoxaline, CGMP-DEPENDENT 3', 5'-CYCLIC PHOSPHODIESTERASE, ...
Authors:Buijnsters, P, Andres, J.I, DeAngelis, M, Langlois, X, Rombouts, F, Sanderson, W, Tresadern, G, Trabanco, A, VanHoof, G, VanRoosbroeck, Y.
Deposit date:2014-04-24
Release date:2014-08-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Design of a Potent, Selective, and Brain Penetrating Pde2 Inhibitor with Demonstrated Target Engagement.
Acs Med.Chem.Lett., 5, 2014
3HTP
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BU of 3htp by Molmil
the hemagglutinin structure of an avian H1N1 influenza A virus in complex with LSTa
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Wang, G, Li, A, Zhang, Q, Wu, C, Zhang, R, Cai, Q, Song, W, Yuen, K.-Y.
Deposit date:2009-06-12
Release date:2009-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:The hemagglutinin structure of an avian H1N1 influenza A virus
Virology, 392, 2009
3HTO
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BU of 3hto by Molmil
the hemagglutinin structure of an avian H1N1 influenza A virus
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Wang, G, Li, A, Zhang, Q, Wu, C, Zhang, R, Cai, Q, Song, W, Yuen, K.-Y.
Deposit date:2009-06-12
Release date:2009-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:The hemagglutinin structure of an avian H1N1 influenza A virus
Virology, 392, 2009
1AH1
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BU of 1ah1 by Molmil
CTLA-4, NMR, 20 STRUCTURES
Descriptor: CTLA-4, 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, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Metzler, W.J, Bajorath, J, Fenderson, W, Shaw, S.-Y, Peach, R, Constantine, K.L, Naemura, J, Leytze, G, Lavoie, T.B, Mueller, L, Linsley, P.S.
Deposit date:1997-04-11
Release date:1998-04-15
Last modified:2020-07-29
Method:SOLUTION NMR
Cite:Solution structure of human CTLA-4 and delineation of a CD80/CD86 binding site conserved in CD28.
Nat.Struct.Biol., 4, 1997

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