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3FHI
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BU of 3fhi by Molmil
Crystal structure of a complex between the catalytic and regulatory (RI{alpha}) subunits of PKA
Descriptor: MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Kim, C.
Deposit date:2008-12-09
Release date:2009-04-14
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a complex between the catalytic and regulatory (RIalpha) subunits of PKA.
Science, 307, 2005
4FVS
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BU of 4fvs by Molmil
Crystal structure of a putative lipoprotein (BDI_3050) from Parabacteroides distasonis ATCC 8503 at 2.70 A resolution
Descriptor: CHLORIDE ION, putative lipoprotein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2012-06-29
Release date:2012-07-25
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of a putative lipoprotein (BDI_3050) from Parabacteroides distasonis ATCC 8503 at 2.70 A resolution
To be published
3F3K
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BU of 3f3k by Molmil
The structure of uncharacterized protein YKR043C from Saccharomyces cerevisiae.
Descriptor: GLYCEROL, Uncharacterized protein YKR043C
Authors:Cuff, M, Xu, X, Cui, H, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-10-30
Release date:2008-12-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure and activity of the metal-independent fructose-1,6-bisphosphatase YK23 from Saccharomyces cerevisiae.
J.Biol.Chem., 285, 2010
4FWS
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BU of 4fws by Molmil
Crystal structure of Salmonella typhimurium propionate kinase (TdcD) in complex with CTP
Descriptor: 1,2-ETHANEDIOL, CYTIDINE-5'-TRIPHOSPHATE, Propionate kinase
Authors:Chittori, S, Savithri, H.S, Murthy, M.R.N.
Deposit date:2012-07-01
Release date:2013-06-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Mechanistic features of Salmonella typhimurium propionate kinase (TdcD): insights from kinetic and crystallographic studies.
Biochim.Biophys.Acta, 1834, 2013
4FXI
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BU of 4fxi by Molmil
Crystal structure of the isolated E. coli RelE toxin, P21 form
Descriptor: SULFATE ION, mRNA interferase RelE
Authors:Brodersen, D.E, Boggild, A, Sofos, N.
Deposit date:2012-07-03
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8003 Å)
Cite:The crystal structure of the intact E. coli RelBE toxin-antitoxin complex provides the structural basis for conditional cooperativity.
Structure, 20, 2012
4G4Z
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BU of 4g4z by Molmil
Crystal structure of OmpA peptidoglycan-binding domain from Acinetobacter baumannii
Descriptor: D-ALANINE, Outer membrane protein Omp38, SULFATE ION
Authors:Lee, W.C, Song, J.H, Park, J.S, Kim, H.Y.
Deposit date:2012-07-16
Release date:2013-07-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Enantiomer-dependent amino acid binding affinity of OmpA-like domains from Acinetobacter baumannii peptidoglycan-associated lipoprotein and OmpA
To be Published
2RIA
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BU of 2ria by Molmil
Crystal structure of the trimeric neck and carbohydrate recognition domain of human surfactant protein D in complex with D-glycero-D-manno-heptose
Descriptor: CALCIUM ION, D-glycero-alpha-D-manno-heptopyranose, Pulmonary surfactant-associated protein D
Authors:Wang, H, Head, J, Kosma, P, Sheikh, S, McDonald, B, Smith, K, Cafarella, T, Seaton, B, Crouch, E.
Deposit date:2007-10-10
Release date:2008-01-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Recognition of heptoses and the inner core of bacterial lipopolysaccharides by surfactant protein d.
Biochemistry, 47, 2008
4GEV
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BU of 4gev by Molmil
E. coli thymidylate synthase Y209W variant in complex with substrate and a cofactor analog
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-deoxy-5'-uridylic acid, Thymidylate synthase
Authors:Newby, Z, Lee, T.T, Finer-Moore, J, Stroud, R.M.
Deposit date:2012-08-02
Release date:2012-08-29
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A remote mutation affects the hydride transfer by disrupting concerted protein motions in thymidylate synthase.
J.Am.Chem.Soc., 134, 2012
2RJ8
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BU of 2rj8 by Molmil
B-specific alpha-1,3-galactosyltransferase (GTB) +UDP+ H-antigen disaccharide
Descriptor: Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ...
Authors:Evans, S.V, Alfaro, J.A.
Deposit date:2007-10-14
Release date:2008-02-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:ABO(H) blood group A and B glycosyltransferases recognize substrate via specific conformational changes.
J.Biol.Chem., 283, 2008
4GAI
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BU of 4gai by Molmil
Crystal structure of EBI-005, a chimera of human IL-1beta and IL-1Ra
Descriptor: EBI-005
Authors:Hou, J, Townson, S.A, Kovalchin, J.T, Masci, A, Kiner, O, Shu, Y, King, B, Thomas, C, Garcia, K.C, Furfine, E.S, Barnes, T.M.
Deposit date:2012-07-25
Release date:2013-02-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Design of a superior cytokine antagonist for topical ophthalmic use.
Proc.Natl.Acad.Sci.USA, 110, 2013
3F1J
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BU of 3f1j by Molmil
Crystal structure of the Borna disease virus matrix protein (BDV-M) reveals RNA binding properties
Descriptor: CYTIDINE-5'-MONOPHOSPHATE, Matrix protein, SULFATE ION
Authors:Neumann, P, Lieber, D, Meyer, S, Dautel, P, Kerth, A, Kraus, I, Garten, W, Stubbs, M.T.
Deposit date:2008-10-28
Release date:2009-02-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure of the Borna disease virus matrix protein (BDV-M) reveals ssRNA binding properties
Proc.Natl.Acad.Sci.USA, 106, 2009
2RJP
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BU of 2rjp by Molmil
Crystal structure of ADAMTS4 with inhibitor bound
Descriptor: ADAMTS-4, CALCIUM ION, N-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl-4-yl}sulfonyl)-D-valine, ...
Authors:Mosyak, L, Stahl, M, Somers, W.
Deposit date:2007-10-15
Release date:2007-12-11
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of the two major aggrecan degrading enzymes, ADAMTS4 and ADAMTS5.
Protein Sci., 17, 2008
4GGA
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BU of 4gga by Molmil
Structural Analysis of Human Cdc20 Supports Multi-site Degron Recognition by APC/C
Descriptor: Cell division cycle protein 20 homolog
Authors:Luo, X, Tian, W, Tomchick, D.R.
Deposit date:2012-08-06
Release date:2012-11-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.044 Å)
Cite:Structural analysis of human Cdc20 supports multisite degron recognition by APC/C.
Proc.Natl.Acad.Sci.USA, 109, 2012
4GIE
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BU of 4gie by Molmil
Crystal structure of prostaglandin F synthase from Trypanosoma cruzi bound to NADP
Descriptor: ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin F synthase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-08-08
Release date:2012-08-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structures of prostaglandin F synthase from the protozoa Leishmania major and Trypanosoma cruzi with NADP.
Acta Crystallogr F Struct Biol Commun, 71, 2015
4GIP
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BU of 4gip by Molmil
Structure of the cleavage-activated prefusion form of the parainfluenza virus 5 (PIV5) fusion protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F1, Fusion glycoprotein F2
Authors:Welch, B.D, Liu, Y, Kors, C.A, Leser, G.P, Jardetzky, T.S, Lamb, R.A.
Deposit date:2012-08-08
Release date:2012-09-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the cleavage-activated prefusion form of the parainfluenza virus 5 fusion protein.
Proc.Natl.Acad.Sci.USA, 109, 2012
2REE
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BU of 2ree by Molmil
Crystal structure of the loading GNATL domain of CurA from Lyngbya majuscula
Descriptor: CHLORIDE ION, CurA, GLYCEROL, ...
Authors:Geders, T.W, Smith, J.L.
Deposit date:2007-09-26
Release date:2007-11-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:GNAT-like strategy for polyketide chain initiation.
Science, 318, 2007
5SRW
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BU of 5srw by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2364914118 - (S) isomer
Descriptor: Non-structural protein 3, methyl [(2S)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetate
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
2REW
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BU of 2rew by Molmil
Crystal Structure of PPARalpha ligand binding domain with BMS-631707
Descriptor: (2S,3S)-1-(4-METHOXYPHENYL)-3-(3-(2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)-4-OXOAZETIDINE-2-CARBOXYLIC ACID, N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE, Peroxisome proliferator-activated receptor alpha
Authors:Muckelbauer, J.
Deposit date:2007-09-27
Release date:2007-11-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of Azetidinone Acids as Conformationally-Constrained Dual (alpha/gamma) PPAR Activators
To be Published
5SQ0
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BU of 5sq0 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL300007260658 - (S,S) isomer
Descriptor: (2S,4S)-1-(6-fluoro-2-hydroxyquinoline-4-carbonyl)-4-methylazetidine-2-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
2RH1
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BU of 2rh1 by Molmil
High resolution crystal structure of human B2-adrenergic G protein-coupled receptor.
Descriptor: (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, 1,4-BUTANEDIOL, ACETAMIDE, ...
Authors:Cherezov, V, Rosenbaum, D.M, Hanson, M.A, Rasmussen, S.G.F, Thian, F.S, Kobilka, T.S, Choi, H.J, Kuhn, P, Weis, W.I, Kobilka, B.K, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR)
Deposit date:2007-10-05
Release date:2007-10-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:High-resolution crystal structure of an engineered human beta2-adrenergic G protein-coupled receptor.
Science, 318, 2007
5SSB
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BU of 5ssb by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINCmk000007RhkC
Descriptor: 4-[(6-chloro-5-cyanopyridin-3-yl)sulfamoyl]-5-methylfuran-2-carboxamide, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SPZ
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BU of 5spz by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL250001448407 - (S) isomer
Descriptor: (3S)-3-(fluoromethyl)-1-(6-oxo-1,6-dihydropyridazine-4-carbonyl)pyrrolidine-3-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SPX
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BU of 5spx by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL250003958539
Descriptor: (5M)-5-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dimethyl-1H-pyrazole-4-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SSP
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BU of 5ssp by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5459166285 - (R,R) and (S,S) isomers
Descriptor: (1R,2R)-4-hydroxy-1-[(1H-indole-5-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid, (1S,2S)-4-hydroxy-1-[(1H-indole-5-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
2RI0
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BU of 2ri0 by Molmil
Crystal Structure of glucosamine 6-phosphate deaminase (NagB) from S. mutans
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glucosamine-6-phosphate deaminase, SODIUM ION
Authors:Li, D, Liu, C, Li, L.F, Su, X.D.
Deposit date:2007-10-10
Release date:2008-03-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Ring-opening mechanism revealed by crystal structures of NagB and its ES intermediate complex
J.Mol.Biol., 379, 2008

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