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2E8N
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BU of 2e8n by Molmil
Solution structure of the C-terminal SAM-domain of EphaA2: Ephrin type-A receptor 2 precursor (EC 2.7.10.1)
Descriptor: Ephrin type-A receptor 2
Authors:Goroncy, A.K, Sato, M, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-01-22
Release date:2008-01-29
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the C-terminal SAM-domain of EphaA2: Ephrin type-A receptor 2 precursor (EC 2.7.10.1)
To be Published
3T45
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BU of 3t45 by Molmil
Crystal structure of bacteriorhodopsin mutant A215T, a phototaxis signaling mutant at 3.0 A resolution
Descriptor: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin (GROUND STATE), RETINAL
Authors:Ozorowski, G, Luecke, H.
Deposit date:2011-07-25
Release date:2011-12-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:A transporter converted into a sensor, a phototaxis signaling mutant of bacteriorhodopsin at 3.0 angstrom.
J.Mol.Biol., 415, 2012
1TAC
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BU of 1tac by Molmil
HIV-1 TAT CYS-, NMR, 10 STRUCTURES
Descriptor: TAT PROTEIN
Authors:Roesch, P, Boehm, M, Sticht, H.
Deposit date:1998-03-13
Release date:1999-03-23
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Structure of HIV-1 Tat Protein
To be Published
4RDQ
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BU of 4rdq by Molmil
Calcium-activated chloride channel bestrophin-1, from chicken, in complex with Fab antibody fragments, chloride and calcium
Descriptor: 6-cyclohexyl-2-(4-cyclohexylbutyl)-2-({[4-O-(alpha-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy}methyl)hexyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, Bestrophin-1, CALCIUM ION, ...
Authors:Dickson, V.K, Pedi, L, Long, S.B.
Deposit date:2014-09-19
Release date:2014-10-22
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure and insights into the function of a Ca(2+)-activated Cl(-) channel.
Nature, 516, 2014
2RI7
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BU of 2ri7 by Molmil
Crystal structure of PHD finger-linker-bromodomain Y17E mutant from human BPTF in the H3(1-9)K4ME2 bound state
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Nucleosome-remodeling factor subunit BPTF, ...
Authors:Li, H, Patel, D.J.
Deposit date:2007-10-10
Release date:2007-12-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural Basis for Lower Lysine Methylation State-Specific Readout by MBT Repeats of L3MBTL1 and an Engineered PHD Finger.
Mol.Cell, 28, 2007
5T2L
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BU of 5t2l by Molmil
mPI3Kd IN COMPLEX WITH 7l
Descriptor: 1-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-3-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L.
Deposit date:2016-08-23
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
7JQC
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BU of 7jqc by Molmil
SARS-CoV-2 Nsp1, CrPV IRES and rabbit 40S ribosome complex
Descriptor: 40S ribosomal protein S21, 40S ribosomal protein S24, 40S ribosomal protein S26, ...
Authors:Yuan, S, Xiong, Y.
Deposit date:2020-08-10
Release date:2020-12-02
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Nonstructural Protein 1 of SARS-CoV-2 Is a Potent Pathogenicity Factor Redirecting Host Protein Synthesis Machinery toward Viral RNA.
Mol.Cell, 80, 2020
3UCQ
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BU of 3ucq by Molmil
Crystal structure of amylosucrase from Deinococcus geothermalis
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Amylosucrase, GLYCEROL
Authors:Guerin, F, Pizzut-Serin, S, Guillet, V, Mourey, L, Potocki-Veronese, G, Remaud-Simeon, M, Andre, I, Tranier, S.
Deposit date:2011-10-27
Release date:2012-01-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural Investigation of the Thermostability and Product Specificity of Amylosucrase from the Bacterium Deinococcus geothermalis.
J.Biol.Chem., 287, 2012
3USQ
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BU of 3usq by Molmil
Structure of D159S/Y194F glycogenin mutant truncated at residue 270
Descriptor: CHLORIDE ION, GLYCEROL, Glycogenin-1
Authors:Issoglio, F.M, Carrizo, M.E, Romero, J.M, Curtino, J.A.
Deposit date:2011-11-23
Release date:2011-12-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mechanisms of monomeric and dimeric glycogenin autoglucosylation.
J.Biol.Chem., 287, 2012
2APJ
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BU of 2apj by Molmil
X-Ray Structure of Protein from Arabidopsis Thaliana AT4G34215 at 1.6 Angstrom Resolution
Descriptor: Putative Esterase
Authors:Wesenberg, G.E, Phillips Jr, G.N, Mccoy, J.G, Bitto, E, Bingman, C.A, Allard, S.T, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2005-08-16
Release date:2005-08-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The structure at 1.6 Angstroms resolution of the protein product of the At4g34215 gene from Arabidopsis thaliana.
Acta Crystallogr.,Sect.D, 61, 2005
5REJ
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BU of 5rej by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102241
Descriptor: 1-{4-[(thiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
1JC2
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BU of 1jc2 by Molmil
COMPLEX OF THE C-DOMAIN OF TROPONIN C WITH RESIDUES 1-40 OF TROPONIN I
Descriptor: CALCIUM ION, TROPONIN C, SKELETAL MUSCLE
Authors:Mercier, P, Spyracopoulos, L, Sykes, B.D.
Deposit date:2001-06-07
Release date:2001-09-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure, dynamics, and thermodynamics of the structural domain of troponin C in complex with the regulatory peptide 1-40 of troponin I
Biochemistry, 40, 2001
2GDT
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BU of 2gdt by Molmil
NMR Structure of the nonstructural protein 1 (nsp1) from the SARS coronavirus
Descriptor: Leader protein; p65 homolog; NSP1 (EC 3.4.22.-)
Authors:Almeida, M.S, Herrmann, T, Geralt, M, Johnson, M.A, Saikatendu, K, Joseph, J, Subramanian, R.C, Neuman, B.W, Buchmeier, M.J, Stevens, R.C, Kuhn, P, Wilson, I.A, Wuthrich, K, Joint Center for Structural Genomics (JCSG)
Deposit date:2006-03-17
Release date:2007-02-06
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Novel beta-barrel fold in the nuclear magnetic resonance structure of the replicase nonstructural protein 1 from the severe acute respiratory syndrome coronavirus.
J.Virol., 81, 2007
2RHS
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BU of 2rhs by Molmil
PheRS from Staphylococcus haemolyticus- rational protein engineering and inhibitor studies
Descriptor: 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea, Phenylalanyl-tRNA synthetase alpha chain, Phenylalanyl-tRNA synthetase beta chain, ...
Authors:Evdokimov, A.G, Mekel, M.
Deposit date:2007-10-09
Release date:2007-11-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Rational protein engineering in action: the first crystal structure of a phenylalanine tRNA synthetase from Staphylococcus haemolyticus.
J.Struct.Biol., 162, 2008
3NRR
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BU of 3nrr by Molmil
Co-crystal structure of dihydrofolate reductase-thymidylate synthase from Babesia bovis with dUMP, Raltitrexed and NADP
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-06-30
Release date:2010-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibitor-bound complexes of dihydrofolate reductase-thymidylate synthase from Babesia bovis.
Acta Crystallogr.,Sect.F, 67, 2011
3GN6
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BU of 3gn6 by Molmil
Crystal structure of CT0912, ORFan protein from Chlorobium tepidum with a ferredoxin-like domain repeat (NP_661805.1) from CHLOROBIUM TEPIDUM TLS at 1.80 A resolution
Descriptor: CT0912, ORFan protein with a ferredoxin-like domain repeat, DI(HYDROXYETHYL)ETHER, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-03-16
Release date:2009-03-31
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of CT0912, ORFan protein from Chlorobium tepidum with a ferredoxin-like domain repeat (NP_661805.1) from CHLOROBIUM TEPIDUM TLS at 1.80 A resolution
To be published
3RGQ
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BU of 3rgq by Molmil
Crystal Structure of PTPMT1 in complex with PI(5)P
Descriptor: (2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate, Protein-tyrosine phosphatase mitochondrial 1
Authors:Xiao, J, Engel, J.L.
Deposit date:2011-04-08
Release date:2011-07-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural and functional analysis of PTPMT1, a phosphatase required for cardiolipin synthesis.
Proc.Natl.Acad.Sci.USA, 108, 2011
2B22
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BU of 2b22 by Molmil
Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat
Descriptor: General control protein GCN4, SODIUM ION
Authors:Deng, Y, Liu, J, Zheng, Q, Eliezer, D, Kallenbach, N.R, Lu, M.
Deposit date:2005-09-16
Release date:2006-01-31
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat.
Structure, 14, 2006
5R21
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BU of 5r21 by Molmil
PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry E07, DMSO-free
Descriptor: 1-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine, Endothiapepsin
Authors:Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S.
Deposit date:2020-02-13
Release date:2020-06-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.047 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
2B2J
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BU of 2b2j by Molmil
Ammonium Transporter Amt-1 from A. fulgidus (Xe)
Descriptor: XENON, ammonium transporter
Authors:Andrade, S.L.A, Dickmanns, A, Ficner, R, Einsle, O.
Deposit date:2005-09-19
Release date:2005-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of the archaeal ammonium transporter Amt-1 from Archaeoglobus fulgidus
Proc.Natl.Acad.Sci.Usa, 102, 2005
5RFX
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BU of 5rfx by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102254
Descriptor: 1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
Deposit date:2020-03-15
Release date:2020-03-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
3EJK
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BU of 3ejk by Molmil
Crystal structure of dTDP Sugar Isomerase (YP_390184.1) from DESULFOVIBRIO DESULFURICANS G20 at 1.95 A resolution
Descriptor: CITRIC ACID, GLYCEROL, TETRAETHYLENE GLYCOL, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-09-18
Release date:2008-09-30
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of dTDP Sugar Isomerase (YP_390184.1) from DESULFOVIBRIO DESULFURICANS G20 at 1.95 A resolution
To be published
5R8F
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BU of 5r8f by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z2377835233 in complex with INTERLEUKIN-1 BETA
Descriptor: 1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide, Interleukin-1 beta, SULFATE ION
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-03
Release date:2020-04-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
3CN6
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BU of 3cn6 by Molmil
Crystal structure of the Spinach Aquaporin SoPIP2;1 S274E mutant
Descriptor: Aquaporin, CADMIUM ION
Authors:Nyblom, M, Alfredsson, A, Hallgren, K, Hedfalk, K, Neutze, R, Tornroth-Horsefield, S.
Deposit date:2008-03-25
Release date:2009-02-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural and functional analysis of SoPIP2;1 mutants adds insight into plant aquaporin gating.
J.Mol.Biol., 387, 2009
4DXU
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BU of 4dxu by Molmil
Crystal Structure of C-lobe of Bovine lactoferrin Complexed with aminocaproic acid at 1.46 A Resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-AMINOHEXANOIC ACID, ...
Authors:Shukla, P.K, Gautam, L, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2012-02-28
Release date:2012-03-14
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Crystal Structure of C-lobe of Bovine lactoferrin Complexed with aminocaproic acid at 1.46 A Resolution
To be Published

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