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4CWR
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BU of 4cwr by Molmil
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor
Descriptor: 5-(1,3-benzodioxol-5-ylmethyl)-10-fluoro[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F.
Deposit date:2014-04-03
Release date:2014-07-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4CWS
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BU of 4cws by Molmil
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor
Descriptor: 2-{[2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-8-yl]amino}ethanol, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F.
Deposit date:2014-04-03
Release date:2014-07-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
9BKD
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BU of 9bkd by Molmil
The structure of human Pdcd4 bound to the 40S small ribosomal subunit
Descriptor: 18S rRNA, 40S ribosomal protein S12, 40S ribosomal protein S13, ...
Authors:Brito Querido, J, Sokabe, M, Diaz-Lopez, I, Gordiyenko, Y, Zuber, P, Albacete-Albacete, L, Ramakrishnan, V, S.Fraser, C.
Deposit date:2024-04-27
Release date:2024-09-04
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Human tumor suppressor protein Pdcd4 binds at the mRNA entry channel in the 40S small ribosomal subunit.
Nat Commun, 15, 2024
4V5B
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BU of 4v5b by Molmil
Structure of PDF binding helix in complex with the ribosome.
Descriptor: 16S RIBOSOMAL RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Bingel-Erlenmeyer, R, Kohler, R, Kramer, G, Sandikci, A, Antolic, S, Maier, T, Schaffitzel, C, Wiedmann, B, Bukau, B, Ban, N.
Deposit date:2007-11-22
Release date:2014-07-09
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.74 Å)
Cite:A Peptide Deformylase-Ribosome Complex Reveals Mechanism of Nascent Chain Processing.
Nature, 452, 2008
4CWF
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BU of 4cwf by Molmil
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor
Descriptor: 5-propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F.
Deposit date:2014-04-02
Release date:2014-07-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4CWT
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BU of 4cwt by Molmil
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor
Descriptor: 2-{[(2Z)-5-(1,3-benzodioxol-5-ylmethyl)-8-fluoro-2-imino-2,3-dihydro[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino}ethanol, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F.
Deposit date:2014-04-03
Release date:2014-07-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
8RO1
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BU of 8ro1 by Molmil
Structure of the C. elegans Intron Lariat Spliceosome double-primed for disassembly (ILS'')
Descriptor: CWF19-like protein 1 homolog, CWF19-like protein 2 homolog, Cell division cycle 5-like protein, ...
Authors:Vorlaender, M.K, Rothe, P, Plaschka, C.
Deposit date:2024-01-11
Release date:2024-08-07
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Mechanism for the initiation of spliceosome disassembly.
Nature, 632, 2024
4CWQ
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BU of 4cwq by Molmil
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor
Descriptor: 2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazoline-8-sulfonamide, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F.
Deposit date:2014-04-03
Release date:2014-07-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
1TNP
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BU of 1tnp by Molmil
STRUCTURES OF THE APO AND CALCIUM TROPONIN-C REGULATORY DOMAINS: THE MUSCLE CONTRACTION SWITCH
Descriptor: TROPONIN-C (APO)
Authors:Gagne, S.M, Sykes, B.D.
Deposit date:1995-07-07
Release date:1995-10-15
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structures of the troponin C regulatory domains in the apo and calcium-saturated states.
Nat.Struct.Biol., 2, 1995
5CZB
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BU of 5czb by Molmil
HCV NS5B IN COMPLEX WITH LIGAND IDX17119-5
Descriptor: 1-[4-(7-amino-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-{[(R)-(2,4-dimethylphenyl)(methoxy)phosphoryl]amino}-1H-pyrazole-4-carboxylic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Pierra, C, Dousson, C, Augustin, M.
Deposit date:2015-07-31
Release date:2016-06-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Synthesis of potent and broad genotypically active NS5B HCV non-nucleoside inhibitors binding to the thumb domain allosteric site 2 of the viral polymerase.
Bioorg.Med.Chem.Lett., 26, 2016
7QPB
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BU of 7qpb by Molmil
Catalytic C-lobe of the HECT-type ubiquitin ligase E6AP in complex with a hybrid foldamer-peptide macrocycle
Descriptor: Isoform I of Ubiquitin-protein ligase E3A, hybrid foldamer-peptide macrocycle
Authors:Dengler, S, Howard, R.T, Morozov, V, Tsiamantas, C, Douat, C, Suga, H, Huc, I.
Deposit date:2022-01-03
Release date:2023-09-27
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.342 Å)
Cite:Display Selection of a Hybrid Foldamer-Peptide Macrocycle.
Angew.Chem.Int.Ed.Engl., 62, 2023
4UWU
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BU of 4uwu by Molmil
Lysozyme soaked with a ruthenium based CORM with a pyridine ligand (complex 7)
Descriptor: CARBON MONOXIDE, CHLORIDE ION, FORMIC ACID, ...
Authors:Santos, M.F.A, Mukhopadhyay, A, Romao, M.J, Romao, C.C, Santos-Silva, T.
Deposit date:2014-08-14
Release date:2014-12-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:A Contribution to the Rational Design of Ru(Co)3Cl2L Complexes for in Vivo Delivery of Co.
Dalton Trans, 44, 2015
1U97
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BU of 1u97 by Molmil
Solution Structure of Apo Yeast Cox17
Descriptor: Cytochrome c oxidase copper chaperone
Authors:Abajian, C, Yatsunyk, L.A, Ramirez, B.E, Rosenzweig, A.C.
Deposit date:2004-08-09
Release date:2004-10-05
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Yeast cox17 solution structure and Copper(I) binding.
J.Biol.Chem., 279, 2004
5CXH
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BU of 5cxh by Molmil
SYK catalytic domain complexed with a potent orally bioavailable thiazole inhibitor
Descriptor: (4R)-4-[(1R)-1-{[6-(3,4-dimethoxyphenyl)[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy}ethyl]pyrrolidin-2-one, Tyrosine-protein kinase SYK
Authors:Lee, C.C.
Deposit date:2015-07-29
Release date:2015-09-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Orally bioavailable Syk inhibitors with activity in a rat PK/PD model.
Bioorg.Med.Chem.Lett., 25, 2015
1U7L
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BU of 1u7l by Molmil
Crystal Structure of subunit C (vma5p) of the yeast V-ATPase
Descriptor: L(+)-TARTARIC ACID, Vacuolar ATP synthase subunit C
Authors:Nelson, N, Frolow, F, Drory, O.
Deposit date:2004-08-04
Release date:2004-11-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of yeast V-ATPase subunit C reveals its stator function
Embo Rep., 5, 2004
4V3R
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BU of 4v3r by Molmil
Designed armadillo repeat protein with 5 internal repeats, 2nd generation C-cap and 3rd generation N-cap.
Descriptor: MAGNESIUM ION, YIII_M5_AII
Authors:Reichen, C, Madhurantakam, C, Pluckthun, A, Mittl, P.
Deposit date:2014-10-20
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of Designed Armadillo-Repeat Proteins Show Propagation of Inter-Repeat Interface Effects
Acta Crystallogr.,Sect.D, 72, 2016
1L6T
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BU of 1l6t by Molmil
STRUCTURE OF ALA24/ASP61 TO ASP24/ASN61 SUBSTITUTED SUBUNIT C OF ESCHERICHIA COLI ATP SYNTHASE
Descriptor: ATP SYNTHASE C CHAIN
Authors:Dmitriev, O.Y, Abildgaard, F, Markley, J.L, Fillingame, R.H.
Deposit date:2002-03-13
Release date:2002-07-24
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of Ala24/Asp61 --> Asp24/Asn61 substituted subunit c of Escherichia coli ATP synthase: implications for the mechanism of proton transport and rotary movement in the F0 complex.
Biochemistry, 41, 2002
2V0N
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BU of 2v0n by Molmil
ACTIVATED RESPONSE REGULATOR PLED IN COMPLEX WITH C-DIGMP AND GTP- ALPHA-S
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), BERYLLIUM TRIFLUORIDE ION, CHLORIDE ION, ...
Authors:Wassmann, P, Schirmer, T.
Deposit date:2007-05-15
Release date:2007-08-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structure of Bef3--Modified Response Regulator Pled: Implications for Diguanylate Cyclase Activation, Catalysis, and Feedback Inhibition
Structure, 15, 2007
3S67
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BU of 3s67 by Molmil
Crystal structure of V57P mutant of human cystatin C
Descriptor: ACETATE ION, CHLORIDE ION, Cystatin-C, ...
Authors:Orlikowska, M, Szymanska, A, Borek, D, Otwinowski, Z, Skowron, P, Jankowska, E.
Deposit date:2011-05-25
Release date:2012-05-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural characterization of V57D and V57P mutants of human cystatin C, an amyloidogenic protein.
Acta Crystallogr.,Sect.D, 69, 2013
8RO0
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BU of 8ro0 by Molmil
Structure of the C. elegans Intron Lariat Spliceosome primed for disassembly (ILS')
Descriptor: Cell division cycle 5-like protein, Coiled-coil domain-containing protein 12, GCF C-terminal domain-containing protein, ...
Authors:Vorlaender, M.K, Rothe, P, Plaschka, C.
Deposit date:2024-01-11
Release date:2024-08-07
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Mechanism for the initiation of spliceosome disassembly.
Nature, 632, 2024
9BLN
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BU of 9bln by Molmil
The structure of human Pdcd4 bound to the 40S-eIF4A-eIF3-eIF1 complex
Descriptor: 40S ribosomal protein S14, ACETIC ACID, Eukaryotic initiation factor 4A-I, ...
Authors:Brito Querido, J, Sokabe, M, Diaz-Lopez, I, Gordiyenko, Y, Zuber, P, Yifei, D, Albacete-Albacete, L, Ramakrishnan, V, S Fraser, C.
Deposit date:2024-04-30
Release date:2024-09-04
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Human tumor suppressor protein Pdcd4 binds at the mRNA entry channel in the 40S small ribosomal subunit.
Nat Commun, 15, 2024
3SJH
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BU of 3sjh by Molmil
Crystal Structure of a chimera containing the N-terminal domain (residues 8-29) of drosophila Ciboulot and the C-terminal domain (residues 18-44) of bovine Thymosin-beta4, bound to G-actin-ATP-Latrunculin A
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Renault, L, Husson, C, Carlier, M.F, Didry, D.
Deposit date:2011-06-21
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:How a single residue in individual beta-thymosin/WH2 domains controls their functions in actin assembly
Embo J., 31, 2012
4DAI
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BU of 4dai by Molmil
Crystal structure of B. anthracis DHPS with compound 23
Descriptor: (7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)acetic acid, Dihydropteroate Synthase, SULFATE ION
Authors:Hammoudeh, D, Lee, R.E, White, S.W.
Deposit date:2012-01-12
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
1TRF
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BU of 1trf by Molmil
SOLUTION STRUCTURE OF THE TR1C FRAGMENT OF SKELETAL MUSCLE TROPONIN-C
Descriptor: TROPONIN C
Authors:Findlay, W.A, Soennichsen, F.D, Sykes, B.D.
Deposit date:1993-12-29
Release date:1994-10-15
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the TR1C fragment of skeletal muscle troponin-C.
J.Biol.Chem., 269, 1994
4UYP
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BU of 4uyp by Molmil
High resolution structure of the third cohesin ScaC in complex with the ScaB dockerin with a mutation in the N-terminal helix (IN to SI) from Acetivibrio cellulolyticus displaying a type I interaction.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Cameron, K, Alves, V.D, Bule, P, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S.
Deposit date:2014-09-02
Release date:2015-04-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Cell-surface Attachment of Bacterial Multienzyme Complexes Involves Highly Dynamic Protein-Protein Anchors.
J. Biol. Chem., 290, 2015

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