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2ODE
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BU of 2ode by Molmil
Crystal structure of the heterodimeric complex of human RGS8 and activated Gi alpha 3
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(k) subunit alpha, MAGNESIUM ION, ...
Authors:Gileadi, C, Soundararajan, M, Turnbull, A.P, Elkins, J.M, Papagrigoriou, E, Pike, A.C.W, Bunkoczi, G, Gorrec, F, Umeano, C, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C.H, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2006-12-22
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
4X2R
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BU of 4x2r by Molmil
Crystal structure of PriA from Actinomyces urogenitalis
Descriptor: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, PHOSPHATE ION
Authors:MICHALSKA, K, VERDUZCO-CASTRO, E.A, ENDRES, M, BARONA-GOMEZ, F, JOACHIMIAK, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-11-26
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Evolution of substrate specificity in a retained enzyme driven by gene loss.
Elife, 6, 2017
4YZD
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BU of 4yzd by Molmil
Crystal Structure of human phosphorylated IRE1alpha in complex with ADP-Mg
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Concha, N.O.
Deposit date:2015-03-24
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.102 Å)
Cite:Long-Range Inhibitor-Induced Conformational Regulation of Human IRE1 alpha Endoribonuclease Activity.
Mol.Pharmacol., 88, 2015
1W6C
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BU of 1w6c by Molmil
AGAO holoenzyme in a small cell, at 2.2 angstroms
Descriptor: COPPER (II) ION, PHENYLETHYLAMINE OXIDASE, SODIUM ION
Authors:Duff, A.P, Langley, D.B, Juda, G.A, Shepard, E.M, Dooley, D.M, Freeman, H.C, Guss, J.M.
Deposit date:2004-08-17
Release date:2005-12-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Copper Containing Amine Oxidase from Arthrobacter Globiformis: Refinement at 1.55 And 2.20 A Resolution in Two Crystal Forms.
Acta Crystallogr.,Sect.F, 62, 2006
1W0Y
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BU of 1w0y by Molmil
tf7a_3771 complex
Descriptor: 4-(4-BENZYLOXY-2-METHANESULFONYLAMINO-5-METHOXY-BENZYLAMINO)-BENZAMIDINE, BLOOD COAGULATION FACTOR VIIA, CACODYLATE ION, ...
Authors:Banner, D.W, D'Arcy, A, Groebke-Zbinden, K, Ackermann, J, Kirchhofer, D, Ji, Y.-H, Tschopp, T.B, Wallbaum, S, Weber, L.
Deposit date:2004-05-27
Release date:2005-01-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design of Selective Phenylglycine Amide Tissue Factor/Factor Viia Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
2OBA
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BU of 2oba by Molmil
Pseudomonas aeruginosa 6-pyruvoyl tetrahydrobiopterin synthase
Descriptor: Probable 6-pyruvoyl tetrahydrobiopterin synthase, ZINC ION
Authors:McGrath, T.E, Kisselman, G, Battaile, K, Romanov, V, Wu-Brown, J, Guthrie, J, Virag, C, Mansoury, K, Edwards, A.M, Pai, E.F, Chirgadze, N.Y.
Deposit date:2006-12-18
Release date:2007-01-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Pseudomonas aeruginosa 6-pyruvoyl tetrahydrobiopterin synthase
TO BE PUBLISHED
8GMB
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BU of 8gmb by Molmil
Crystal structure of the full-length Bruton's tyrosine kinase (PH-TH domain not visible)
Descriptor: 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one, Tyrosine-protein kinase BTK
Authors:Lin, D.Y, Andreotti, A.H.
Deposit date:2023-03-24
Release date:2023-08-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Conformational heterogeneity of the BTK PHTH domain drives multiple regulatory states.
Elife, 12, 2024
1W5L
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BU of 1w5l by Molmil
An anti-parallel to parallel switch.
Descriptor: GENERAL CONTROL PROTEIN GCN4
Authors:Yadav, M.K, Leman, L.J, Stout, C.D, Ghadiri, M.R.
Deposit date:2004-08-07
Release date:2004-09-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Coiled Coils at the Edge of Configurational Heterogeneity. Structural Analyses of Parallel and Antiparallel Homotetrameric Coiled Coils Reveal Configurational Sensitivity to a Single Solvent-Exposed Amino Acid Substitution.
Biochemistry, 45, 2006
8BV2
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BU of 8bv2 by Molmil
Biological and structural analysis of new potent Integrase-LEDGF allosteric HIV-1 inhibitors
Descriptor: (2S)-2-[3-cyclopropyl-2-(3,4-dihydro-2H-chromen-6-yl)-6-methyl-phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, MAGNESIUM ION, ...
Authors:Ruff, M, Benarous, R.
Deposit date:2022-12-01
Release date:2023-06-07
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
1ORN
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BU of 1orn by Molmil
Structure of a Trapped Endonuclease III-DNA Covalent Intermediate: Estranged-Guanine Complex
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*AP*AP*GP*AP*CP*GP*TP*GP*GP*AP*C)-3', 5'-D(*T*GP*TP*CP*CP*AP*(PED)P*GP*TP*CP*T)-3', ...
Authors:Fromme, J.C, Verdine, G.L.
Deposit date:2003-03-14
Release date:2003-07-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of a Trapped Endonuclease III-DNA Covalent Intermediate
Embo J., 22, 2003
1P28
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BU of 1p28 by Molmil
The crystal structure of a pheromone binding protein from the cockroach Leucophaea maderae in complex with a component of the pheromonal blend: 3-hydroxy-butan-2-one.
Descriptor: R,3-HYDROXYBUTAN-2-ONE, S,3-HYDROXYBUTAN-2-ONE, pheromone binding protein
Authors:Lartigue, A, Gruez, A, Spinelli, S, Riviere, S, Brossut, R, Tegoni, M, Cambillau, C.
Deposit date:2003-04-15
Release date:2003-08-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:THE CRYSTAL STRUCTURE OF A COCKROACH PHEROMONE-BINDING PROTEIN SUGGESTS A NEW LIGAND BINDING AND RELEASE MECHANISM
J.Biol.Chem., 278, 2003
3BFB
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BU of 3bfb by Molmil
Crystal structure of a pheromone binding protein from Apis mellifera in complex with the 9-keto-2(E)-decenoic acid
Descriptor: (2Z)-9-oxodec-2-enoic acid, CHLORIDE ION, GLYCEROL, ...
Authors:Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C.
Deposit date:2007-11-21
Release date:2008-06-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis of the honey bee PBP pheromone and pH-induced conformational change
J.Mol.Biol., 380, 2008
2ES0
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BU of 2es0 by Molmil
Structure of the regulator of G-protein signaling domain of RGS6
Descriptor: regulator of G-protein signalling 6
Authors:Schoch, G.A, Phillips, C, Turnbull, A, Niesen, F, Johansson, C, Elkins, J.M, Longman, E, Gilealdi, C, Sobott, F, Ball, L, Sundstrom, M, Edwards, A, Arrowsmith, C, von Delft, F, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2005-10-25
Release date:2005-11-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2BLV
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BU of 2blv by Molmil
Trypsin before a high dose x-ray "burn"
Descriptor: BENZAMIDINE, CALCIUM ION, GLYCEROL, ...
Authors:Nanao, M.H, Ravelli, R.B.
Deposit date:2005-03-08
Release date:2005-09-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Improving Radiation-Damage Substructures for Rip.
Acta Crystallogr.,Sect.D, 61, 2005
1OED
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BU of 1oed by Molmil
STRUCTURE OF ACETYLCHOLINE RECEPTOR PORE FROM ELECTRON IMAGES
Descriptor: Acetylcholine receptor beta subunit, Acetylcholine receptor delta subunit, Acetylcholine receptor gamma subunit, ...
Authors:Miyazawa, A, Fujiyoshi, Y, Unwin, N.
Deposit date:2003-03-24
Release date:2003-06-26
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure and Gating Mechanism of the Acetylcholine Receptor Pore.
Nature, 423, 2003
8BD7
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BU of 8bd7 by Molmil
IFTB1 subcomplex of anterograde Intraflagellar transport trains (Chlamydomonas reinhardtii)
Descriptor: Clusterin-associated protein 1, IFT54, IFT70, ...
Authors:Lacey, S.E, Foster, H.E, Pigino, G.
Deposit date:2022-10-18
Release date:2023-01-11
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (9.9 Å)
Cite:The molecular structure of IFT-A and IFT-B in anterograde intraflagellar transport trains.
Nat.Struct.Mol.Biol., 30, 2023
8BDA
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BU of 8bda by Molmil
IFTA complex in anterograde intraflagellar transport trains (Chlamydomonas reinhardtii)
Descriptor: Intraflagellar transport particle protein 140, Intraflagellar transport protein 121, Intraflagellar transport protein 122 homolog, ...
Authors:Lacey, S.E, Foster, H.E, Pigino, G.
Deposit date:2022-10-18
Release date:2023-01-11
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (20.700001 Å)
Cite:The molecular structure of IFT-A and IFT-B in anterograde intraflagellar transport trains.
Nat.Struct.Mol.Biol., 30, 2023
1NP9
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BU of 1np9 by Molmil
Structure of the parallel-stranded DNA quadruplex d(TTAGGGA)4 containing the human telomeric repeat
Descriptor: 5'-D(*TP*TP*AP*GP*GP*GP*T)-3'
Authors:Gavathiotis, E, Searle, M.S.
Deposit date:2003-01-17
Release date:2003-09-16
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the parallel-stranded DNA quadruplex d(TTAGGGT)4 containing the human telomeric repeat: evidence for A-tetrad formation from NMR and molecular dynamics simulations.
ORG.BIOMOL.CHEM., 1, 2003
1NT6
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BU of 1nt6 by Molmil
F1-Gramicidin C In Sodium Dodecyl Sulfate Micelles (NMR)
Descriptor: GRAMICIDIN C
Authors:Townsley, L.E, Fletcher, T.G, Hinton, J.F.
Deposit date:2003-01-28
Release date:2003-02-11
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:The Structure, Cation Binding, Transport, and Conductance of Gly15-Gramicidin a Incorporated Into Sds Micelles and Pc/Pg Vesicles.
Biochemistry, 42, 2003
2KA5
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BU of 2ka5 by Molmil
NMR Structure of the protein TM1081
Descriptor: Putative anti-sigma factor antagonist TM_1081
Authors:Serrano, P, Geralt, M, Mohanty, B, Pedrini, B, Horst, R, Wuthrich, K, Wilson, I, Joint Center for Structural Genomics (JCSG)
Deposit date:2008-10-30
Release date:2008-11-25
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Comparison of NMR and crystal structures highlights conformational isomerism in protein active sites.
Acta Crystallogr.,Sect.F, 66, 2010
2ZH8
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BU of 2zh8 by Molmil
Complex structure of AFCCA with tRNAminiDGC
Descriptor: CCA-adding enzyme, SULFATE ION, tRNA (34-MER)
Authors:Toh, Y, Tomita, K.
Deposit date:2008-02-01
Release date:2008-08-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Molecular basis for maintenance of fidelity during the CCA-adding reaction by a CCA-adding enzyme
Embo J., 27, 2008
2CCN
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BU of 2ccn by Molmil
pLI E20C is antiparallel
Descriptor: General control protein GCN4
Authors:Yadav, M.K, Leman, L.J, Price, D.J, Brooks 3rd, C.L, Stout, C.D, Ghadiri, M.R.
Deposit date:2006-01-16
Release date:2006-04-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Coiled coils at the edge of configurational heterogeneity. Structural analyses of parallel and antiparallel homotetrameric coiled coils reveal configurational sensitivity to a single solvent-exposed amino acid substitution.
Biochemistry, 45, 2006
2ZH9
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BU of 2zh9 by Molmil
Complex structure of AFCCA with tRNAminiDU
Descriptor: CCA-adding enzyme, SULFATE ION, tRNA (33-MER)
Authors:Toh, Y, Tomita, K.
Deposit date:2008-02-01
Release date:2008-08-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular basis for maintenance of fidelity during the CCA-adding reaction by a CCA-adding enzyme
Embo J., 27, 2008
8BWU
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BU of 8bwu by Molmil
Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the SS148 inhibitor
Descriptor: (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Transcription factor ETV6,Proofreading exoribonuclease nsp14, ZINC ION
Authors:Konkolova, E, Klima, M, Boura, E, Jin, J, Kaniskan, H.U, Han, Y, Vedadi, M.
Deposit date:2022-12-07
Release date:2023-10-11
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Application of established computational techniques to identify potential SARS-CoV-2 Nsp14-MTase inhibitors in low data regimes
Digit Discov, 2024
3ZVY
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BU of 3zvy by Molmil
PHD finger of human UHRF1 in complex with unmodified histone H3 N- terminal tail
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, E3 UBIQUITIN-PROTEIN LIGASE UHRF1, ...
Authors:Lallous, N, Birck, C, Mc Ewen, A.G, Legrand, P, Samama, J.P.
Deposit date:2011-07-28
Release date:2011-12-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Phd Finger of Human Uhrf1 Reveals a New Subgroup of Unmethylated Histone H3 Tail Readers.
Plos One, 6, 2011

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