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4EDY
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BU of 4edy by Molmil
Crystal structure of hH-PGDS with water displacing inhibitor
Descriptor: 4-[2-(hydroxymethyl)naphthalen-1-yl]-N-[2-(morpholin-4-yl)ethyl]benzamide, DIMETHYL SULFOXIDE, GLUTATHIONE, ...
Authors:Day, J.E, Thorarensen, A, Trujillo, J.I, Kiefer, J.R.
Deposit date:2012-03-27
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Investigation of the binding pocket of human hematopoietic prostaglandin (PG) D2 synthase (hH-PGDS): a tale of two waters.
Bioorg.Med.Chem.Lett., 22, 2012
4FDF
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BU of 4fdf by Molmil
Structural insights into putative molybdenum cofactor biosynthesis protein C (MoaC2) from Mycobacterium tuberculosis H37Rv
Descriptor: Molybdenum cofactor biosynthesis protein C 2
Authors:Srivastava, V.K, Srivastava, S, Arora, A, Pratap, J.V.
Deposit date:2012-05-28
Release date:2013-04-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Structural Insights into Putative Molybdenum Cofactor Biosynthesis Protein C (MoaC2) from Mycobacterium tuberculosis H37Rv.
Plos One, 8, 2013
2MJL
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BU of 2mjl by Molmil
Solution structure of peptidyl-tRNA hyrolase from Vibrio cholerae
Descriptor: Peptidyl-tRNA hydrolase
Authors:Kabra, A, Shahid, S, Yadav, R, Pulavarti, S, Shukla, V.K, Arora, A.
Deposit date:2014-01-11
Release date:2015-01-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of peptidyl-tRNA hydrolase from Vibrio cholerae
To be Published
2NPB
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BU of 2npb by Molmil
NMR solution structure of mouse SelW
Descriptor: Selenoprotein W
Authors:Aachmann, F.L, Fomenko, D.E, Soragni, A, Gladyshev, V.N, Dikiy, A.
Deposit date:2006-10-27
Release date:2006-11-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of selenoprotein W and NMR analysis of its interaction with 14-3-3 proteins
J.Biol.Chem., 282, 2007
2KGY
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BU of 2kgy by Molmil
Solution structure of Rv0603 protein from Mycobacterium tuberculosis H37Rv
Descriptor: POSSIBLE EXPORTED PROTEIN
Authors:Tripathi, S, Pulavarti, S.V.S.R.K, Pathak, P.P, Meher, A.K, Jain, A, Arora, A.
Deposit date:2009-03-23
Release date:2010-03-31
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of Rv0603 protein from Mycobacterium tuberculosis H37Rv
To be Published
2L72
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BU of 2l72 by Molmil
Solution structure and dynamics of ADF from Toxoplasma gondii (TgADF)
Descriptor: Actin depolymerizing factor, putative
Authors:Pathak, P.P, Shukla, V.K, Yadav, R, Jain, A, Srivastava, S, Tripathi, S, Pulavarti, S.V.S.R.K, Arora, A.
Deposit date:2010-12-01
Release date:2011-08-17
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure and dynamics of ADF from Toxoplasma gondii
J.Struct.Biol., 176, 2011
2NCH
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BU of 2nch by Molmil
Solution structure of translation initiation factor IF1 from wolbachia endosymbiont strain TRS of Brugia malayi
Descriptor: Translation initiation factor IF-1
Authors:Kabra, A, Nag, J, Arora, A, Bhattacharya, S.M.
Deposit date:2016-03-31
Release date:2017-04-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of translation initiation factor IF1 from wolbachia endosymbiont strain TRS of Brugia malayi
To be Published
2MV2
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BU of 2mv2 by Molmil
Solution structure of Twinstar from Drosophila melanogastor
Descriptor: Cofilin/actin-depolymerizing factor homolog
Authors:Shukla, V.K, Maheshwari, D, Kumar, D, Arora, A.
Deposit date:2014-09-20
Release date:2015-09-23
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure and dynamics of Twinstar from Drosophila melanogastor
To be Published
2Z9T
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BU of 2z9t by Molmil
Crystal structure of the human beta-2 microglobulin mutant W60G
Descriptor: Beta-2-microglobulin
Authors:Ricagno, S, Bolognesi, M, Bellotti, V, Corazza, A, Rennella, E, Gural, D, Mimmi, M.C, Betto, E, Pucillo, C, Fogolari, F, Viglino, P, Raimondi, S, Giorgetti, S, Bolognesi, B, Merlini, G, Stoppini, M.
Deposit date:2007-09-26
Release date:2008-04-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The controlling roles of Trp60 and Trp95 in beta2-microglobulin function, folding and amyloid aggregation properties
J.Mol.Biol., 378, 2008
2K27
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BU of 2k27 by Molmil
Solution structure of Human Pax8 Paired Box Domain
Descriptor: Paired box protein Pax-8
Authors:Codutti, L, Esposito, G, Corazza, A, Fogolari, F, Tell, G, Vascotto, C, van Ingen, H, Boelens, R, Viglino, P, Quadrifoglio, F.
Deposit date:2008-03-26
Release date:2008-09-30
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:The Solution Structure of DNA-free Pax-8 Paired Box Domain Accounts for Redox Regulation of Transcriptional Activity in the Pax Protein Family.
J.Biol.Chem., 283, 2008
2HDN
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BU of 2hdn by Molmil
Trypsin-modified Elongation Factor Tu in complex with tetracycline at 2.8 Angstrom resolution
Descriptor: Elongation factor EF-Tu, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Mui, S, Heffron, S.E, Aorora, A, Abel, K, Bergmann, E, Jurnak, F.
Deposit date:2006-06-20
Release date:2006-10-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular complementarity between tetracycline and the GTPase active site of elongation factor Tu.
Acta Crystallogr.,Sect.D, 62, 2006
2MW5
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BU of 2mw5 by Molmil
Backbone fold of Human Small Ubiquitin like Modifier protein-1 (SUMO-1) based on Prot3D-NMR approach.
Descriptor: Small ubiquitin-related modifier 1
Authors:Kumar, D, Jaiswal, N, Raikwal, N, Shukla, V, Arora, A.
Deposit date:2014-10-28
Release date:2014-12-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Prot3DNMR: A simple and swift NMR strategy for Three-Dimentional structutral determination of proteins.
To be Published
2MOT
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BU of 2mot by Molmil
Backbone Structure of Actin Depolymerizing Factor (ADF) of Toxoplasma gondii Based on Prot3DNMR Approach
Descriptor: Actin depolymerizing factor ADF
Authors:Kumar, D, Raikwal, N, Raval, I, Jaiswal, N, Shukla, V, Arora, A.
Deposit date:2014-05-05
Release date:2015-05-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Prot3DNMR: A Simple and Swift Strategy for Backbone Structure Determination of Proteins by NMR
To be Published
2HCJ
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BU of 2hcj by Molmil
Trypsin-modified Elongation Factor Tu in complex with tetracycline
Descriptor: GLYOXYLIC ACID, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Mui, S, Heffron, S.E, Aorora, A, Abel, K, Bergmann, E, Jurnak, F.
Deposit date:2006-06-16
Release date:2006-10-31
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Molecular complementarity between tetracycline and the GTPase active site of elongation factor Tu.
Acta Crystallogr.,Sect.D, 62, 2006
2VB5
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BU of 2vb5 by Molmil
Solution structure of W60G mutant of human beta2-microglobulin
Descriptor: BETA-2-MICROGLOBULIN
Authors:Esposito, G, Corazza, A, Rennella, E, Gumral, D, Mimmi, M.C, Fogolari, F, Viglino, P, Raimondi, S, Giorgetti, S, Bolognesi, B, Merlini, G, Stoppini, M, Bellotti, V.
Deposit date:2007-09-06
Release date:2007-09-25
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The Controlling Roles of Trp60 and Trp95 in Beta2-Microglobulin Function, Folding and Amyloid Aggregation Properties.
J.Mol.Biol., 378, 2008
3LQY
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BU of 3lqy by Molmil
Crystal structure of putative isochorismatase hydrolase from Oleispira antarctica
Descriptor: GLYCEROL, putative isochorismatase hydrolase
Authors:Goral, A, Chruszcz, M, Kagan, O, Cymborowski, M, Savchenko, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-02-10
Release date:2010-03-16
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of a putative isochorismatase hydrolase from Oleispira antarctica.
J.Struct.Funct.Genom., 13, 2012
2BJE
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BU of 2bje by Molmil
Acylphosphatase from Sulfolobus solfataricus. Monclinic P21 space group
Descriptor: ACYLPHOSPHATASE, CHLORIDE ION, SULFATE ION
Authors:Rosano, C, Zuccotti, S.
Deposit date:2005-02-02
Release date:2005-11-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure, Conformational Stability, and Enzymatic Properties of Acylphosphatase from the Hyperthermophile Sulfolobus Solfataricus.
Proteins: Struct., Funct., Bioinf., 62, 2006
2BJD
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BU of 2bjd by Molmil
Sulfolobus Solfataricus Acylphosphatase. Triclinic space group
Descriptor: ACYLPHOSPHATASE, CADMIUM ION, CHLORIDE ION, ...
Authors:Rosano, C, Zuccotti, S, Bolognesi, M.
Deposit date:2005-02-02
Release date:2005-11-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Structure, Conformational Stability, and Enzymatic Properties of Acylphosphatase from the Hyperthermophile Sulfolobus Solfataricus.
Proteins: Struct., Funct., Bioinf., 62, 2006
5TTU
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BU of 5ttu by Molmil
Jak3 with covalent inhibitor 7
Descriptor: 1-[(3aR,7aR)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6H-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one, SULFATE ION, Tyrosine-protein kinase JAK3
Authors:Vajdos, F.F.
Deposit date:2016-11-04
Release date:2017-02-22
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.
J. Med. Chem., 60, 2017
5TTS
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BU of 5tts by Molmil
Jak3 with covalent inhibitor 4
Descriptor: 1-{(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, Tyrosine-protein kinase JAK3
Authors:Vajdos, F.F.
Deposit date:2016-11-04
Release date:2017-02-22
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.
J. Med. Chem., 60, 2017
5TTV
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BU of 5ttv by Molmil
Jak3 with covalent inhibitor 6
Descriptor: N-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide, Tyrosine-protein kinase JAK3
Authors:Vajdos, F.F.
Deposit date:2016-11-04
Release date:2017-02-22
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.
J. Med. Chem., 60, 2017
5LKA
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BU of 5lka by Molmil
Crystal structure of haloalkane dehalogenase LinB 140A+143L+177W+211L mutant (LinB86) from Sphingobium japonicum UT26 at 1.3 A resolution
Descriptor: Haloalkane dehalogenase, THIOCYANATE ION
Authors:Degtjarik, O, Rezacova, P, Iermak, I, Chaloupkova, R, Damborsky, J, Kuta Smatanova, I.
Deposit date:2016-07-21
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.298 Å)
Cite:Engineering a de novo transport tunnel.
Acs Catalysis, 2016
4UU4
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BU of 4uu4 by Molmil
Crystal structure of LptH, the LptA homologous periplasmic component of the conserved lipopolysaccharide transport device from Pseudomonas aeruginosa
Descriptor: PERIPLASMIC LIPOPOLYSACCHARIDE TRANSPORT PROTEIN LPTH
Authors:Bollati, M, Villa, R, Gourlay, L.J, Barbiroli, A, Deho, G, Benedet, M, Polissi, A, Martorana, A, Sperandeo, P, Bolognesi, M, Nardini, M.
Deposit date:2014-07-24
Release date:2015-03-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.751 Å)
Cite:Crystal Structure of Lpth, the Periplasmic Component of the Lipopolysaccharide Transport Machinery from Pseudomonas Aeruginosa.
FEBS J., 282, 2015
6DB3
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BU of 6db3 by Molmil
JAK3 with Cyanamide CP23
Descriptor: Tyrosine-protein kinase JAK3, [(1S)-1-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]cyanamide
Authors:Vajdos, F.F.
Deposit date:2018-05-02
Release date:2018-11-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors.
J. Med. Chem., 61, 2018
6DUD
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BU of 6dud by Molmil
JAK3 with cyanamide CP12
Descriptor: N-[(1S)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide, SULFATE ION, Tyrosine-protein kinase JAK3
Authors:Vajdos, F.F.
Deposit date:2018-06-20
Release date:2018-11-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors.
J. Med. Chem., 61, 2018

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