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3S93
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BU of 3s93 by Molmil
Crystal structure of conserved motif in TDRD5
Descriptor: Tudor domain-containing protein 5, UNKNOWN ATOM OR ION
Authors:Chao, X, Tempel, W, Bian, C, Kania, J, Wernimont, A.K, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2011-05-31
Release date:2011-08-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal structure of conserved motif in TDRD5
to be published
3JTD
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BU of 3jtd by Molmil
Calcium-free Scallop Myosin Regulatory Domain with ELC-D19A Point Mutation
Descriptor: MAGNESIUM ION, Myosin essential light chain, striated adductor muscle, ...
Authors:Himmel, D.M, Mui, S, O'Neall-Hennessey, E, Szent-Gyorgyi, A, Cohen, C.
Deposit date:2009-09-11
Release date:2009-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:The on-off switch in regulated myosins: different triggers but related mechanisms.
J.Mol.Biol., 394, 2009
3JVT
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BU of 3jvt by Molmil
Calcium-bound Scallop Myosin Regulatory Domain (Lever Arm) with Reconstituted Complete Light Chains
Descriptor: CALCIUM ION, MAGNESIUM ION, Myosin essential light chain, ...
Authors:Himmel, D.M, Mui, S, O'Neall-Hennessey, E, Szent-Gyorgyi, A, Cohen, C.
Deposit date:2009-09-17
Release date:2009-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The on-off switch in regulated myosins: different triggers but related mechanisms.
J.Mol.Biol., 394, 2009
3SGK
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BU of 3sgk by Molmil
Unique carbohydrate/carbohydrate interactions are required for high affinity binding of FcgIII and antibodies lacking core fucose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)][2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fc fragment, ...
Authors:Ferrara, C, Grau, S, Jaeger, C, Sondermann, P, Bruenker, P, Waldhauer, I, Hennig, M, Ruf, A, Rufer, A.C, Stihle, M, Umana, P, Benz, J.
Deposit date:2011-06-15
Release date:2011-08-03
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Unique carbohydrate-carbohydrate interactions are required for high affinity binding between FcgammaRIII and antibodies lacking core fucose.
Proc.Natl.Acad.Sci.USA, 108, 2011
3SGJ
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BU of 3sgj by Molmil
Unique carbohydrate-carbohydrate interactions are required for high affinity binding between FcgIII and antibodies lacking core fucose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MALONATE ION, ...
Authors:Ferrara, C, Grau, S, Jaeger, C, Sondermann, P, Bruenker, P, Waldhauer, I, Hennig, M, Ruf, A, Rufer, A.C, Stihle, M, Umana, P, Benz, J.
Deposit date:2011-06-15
Release date:2011-08-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Unique carbohydrate-carbohydrate interactions are required for high affinity binding between FcgammaRIII and antibodies lacking core fucose.
Proc.Natl.Acad.Sci.USA, 108, 2011
4U8H
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BU of 4u8h by Molmil
Crystal Structure of Mammalian Period-Cryptochrome Complex
Descriptor: Cryptochrome-2, Period circadian protein homolog 2, ZINC ION
Authors:Nangle, S.N, Rosensweig, C, Koike, N, Tei, H, Takahashi, J.S, Green, C.B, Zheng, N.
Deposit date:2014-08-03
Release date:2014-10-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.798 Å)
Cite:Molecular assembly of the period-cryptochrome circadian transcriptional repressor complex.
Elife, 3, 2014
4UFC
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BU of 4ufc by Molmil
Crystal structure of the GH95 enzyme BACOVA_03438
Descriptor: CACODYLATE ION, CALCIUM ION, GH95, ...
Authors:Rogowski, A, Briggs, J.A, Mortimer, J.C, Tryfona, T, Terrapon, N, Lowe, E.C, Basle, A, Morland, C, Day, A.M, Zheng, H, Rogers, T.E, Thompson, P, Hawkins, A.R, Yadav, M.P, Henrissat, B, Martens, E.C, Dupree, P, Gilbert, H.J, Bolam, D.N.
Deposit date:2015-03-16
Release date:2015-07-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Glycan Complexity Dictates Microbial Resource Allocation in the Large Intestine.
Nat.Commun., 6, 2015
4U3T
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BU of 4u3t by Molmil
Crystal structure of the transpeptidase domain of Neisseria gonorrhoeae penicillin-binding protein 2 derived from the penicillin-resistant strain 6140
Descriptor: Penicillin-binding protein 2
Authors:Fedarovich, A, Davies, C.
Deposit date:2014-07-22
Release date:2014-12-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Effect of the Asp345a Insertion in Penicillin-Binding Protein 2 from Penicillin-Resistant Strains of Neisseria gonorrhoeae.
Biochemistry, 53, 2014
4COO
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BU of 4coo by Molmil
Crystal structure of human cystathionine beta-synthase (delta516-525) at 2.0 angstrom resolution
Descriptor: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ACETATE ION, ...
Authors:McCorvie, T.J, Kopec, J, Vollamar, M, Strain-Damerell, C, Bushell, S, Bradley, A, Tallant, C, Kiyani, W, Froese, D.S, Carpenter, E.S, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
Deposit date:2014-01-29
Release date:2014-03-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inter-Domain Communication of Human Cystathionine Beta Synthase: Structural Basis of S-Adenosyl-L-Methionine Activation.
J.Biol.Chem., 289, 2014
4U6R
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BU of 4u6r by Molmil
Crystal structure of human IRE1 cytoplasmic domains in complex with a sulfonamide inhibitor.
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]-3-methylnaphthalen-1-yl}-2-chlorobenzenesulfonamide, ...
Authors:Mohr, C.
Deposit date:2014-07-29
Release date:2014-10-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Unfolded Protein Response in Cancer: IRE1 alpha Inhibition by Selective Kinase Ligands Does Not Impair Tumor Cell Viability.
Acs Med.Chem.Lett., 6, 2015
4U6V
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BU of 4u6v by Molmil
Mechanisms of Neutralization of a Human Anti-Alpha Toxin Antibody
Descriptor: Alpha-hemolysin, Fab, antigen binding fragment, ...
Authors:Oganesyan, V.Y, Peng, L, Damschroder, M.M, Cheng, L, Sadowska, A, Tkaczyk, C, Sellman, B, Wu, H, Dall'Acqua, W.F.
Deposit date:2014-07-29
Release date:2014-09-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Mechanisms of Neutralization of a Human Anti-alpha-toxin Antibody.
J.Biol.Chem., 289, 2014
1TTX
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BU of 1ttx by Molmil
Solution Structure of human beta parvalbumin (oncomodulin) refined with a paramagnetism based strategy
Descriptor: CALCIUM ION, Oncomodulin
Authors:Babini, E, Bertini, I, Capozzi, F, Del Bianco, C, Hollender, D, Kiss, T, Luchinat, C, Quattrone, A, Structural Proteomics in Europe (SPINE)
Deposit date:2004-06-23
Release date:2005-01-18
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution Structure of Human beta-Parvalbumin and Structural Comparison with Its Paralog alpha-Parvalbumin and with Their Rat Orthologs(,)
Biochemistry, 43, 2004
4UF9
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BU of 4uf9 by Molmil
Electron cryo-microscopy structure of PB1-p62 type T filaments
Descriptor: SEQUESTOSOME-1
Authors:Ciuffa, R, Lamark, T, Tarafder, A, Guesdon, A, Rybina, S, Hagen, W.J.H, Johansen, T, Sachse, C.
Deposit date:2015-03-15
Release date:2015-05-13
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (10.3 Å)
Cite:The Selective Autophagy Receptor P62 Forms a Flexible Filamentous Helical Scaffold.
Cell Rep., 11, 2015
4TXS
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BU of 4txs by Molmil
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
Descriptor: (4-hydroxyphenyl)acetonitrile, Polyprotein
Authors:Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
Deposit date:2014-07-07
Release date:2015-05-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
1U15
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BU of 1u15 by Molmil
Crystal structure of a duck-delta-crystallin-1 double loop mutant (DLM)
Descriptor: Delta crystallin I
Authors:Tsai, M, Sampaleanu, L.M, Greene, C, Creagh, L, Haynes, C, Howell, P.L.
Deposit date:2004-07-14
Release date:2004-10-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A duck delta1 crystallin double loop mutant provides insight into residues important for argininosuccinate lyase activity.
Biochemistry, 43, 2004
4U5X
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BU of 4u5x by Molmil
Structure of plant small GTPase OsRac1 complexed with the non-hydrolyzable GTP analog GMPPNP
Descriptor: GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Ohki, I, Kosami, K, Fujiwara, T, Nakagawa, A, Shimamoto, K, Kojima, C.
Deposit date:2014-07-25
Release date:2014-08-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Crystal Structure of the Plant Small GTPase OsRac1 Reveals Its Mode of Binding to NADPH Oxidase
J.Biol.Chem., 289, 2014
4UCU
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BU of 4ucu by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
Descriptor: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxyquinoline-2-carboxylic acid, DNA LIGASE
Authors:Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
Deposit date:2014-12-04
Release date:2015-10-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
2V3Q
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BU of 2v3q by Molmil
Serendipitous discovery and X-ray structure of a human phosphate binding apolipoprotein
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, HUMAN PHOSPHATE BINDING PROTEIN, ...
Authors:Morales, R, Berna, A, Carpentier, P, Elias, M, Contreras-Martel, C, Renault, F, Nicodeme, M, Chesne-Seck, M.-L, Bernier, F, Dupuy, J, Schaeffer, C, Diemer, H, Van Dorsselaer, A, Fontecilla, J.C, Masson, P, Rochu, D, Chabriere, E.
Deposit date:2007-06-20
Release date:2008-07-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Tandem Use of X-Ray Crystallography and Mass Spectrometry to Obtain Ab Initio the Complete and Exact Amino Acids Sequence of Hpbp, a Human 38kDa Apolipoprotein
Proteins: Struct., Funct., Bioinf., 71, 2008
4TX0
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BU of 4tx0 by Molmil
The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-(2-methoxyethoxy)-3-(2-methoxyethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
Descriptor: (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-(2-methoxyethoxy)-3-(2-methoxyethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Bischoff, M, Sippel, C, Bracher, A, Hausch, F.
Deposit date:2014-07-02
Release date:2014-10-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Stereoselective Construction of the 5-Hydroxy Diazabicyclo[4.3.1]decane-2-one Scaffold, a Privileged Motif for FK506-Binding Proteins.
Org.Lett., 16, 2014
4TY8
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BU of 4ty8 by Molmil
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
Descriptor: 6-methyl-2H-chromen-2-one, Polyprotein
Authors:Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
Deposit date:2014-07-08
Release date:2015-05-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
4UBV
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BU of 4ubv by Molmil
Structure of the 3-ketoacyl-CoA thiolase FadA5 from M. tuberculosis with an partially acetylated cysteine in complex with acetyl-CoA and CoA
Descriptor: 1,4-DIETHYLENE DIOXIDE, ACETYL COENZYME *A, Acetyl-CoA acetyltransferase FadA5, ...
Authors:Schaefer, C.M, Kisker, C.
Deposit date:2014-08-13
Release date:2014-12-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:FadA5 a Thiolase from Mycobacterium tuberculosis: A Steroid-Binding Pocket Reveals the Potential for Drug Development against Tuberculosis.
Structure, 23, 2015
4UTC
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BU of 4utc by Molmil
Crystal structure of dengue 2 virus envelope glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN E, ...
Authors:Kikuti, C, Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A.
Deposit date:2014-07-18
Release date:2015-01-28
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
1KJU
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BU of 1kju by Molmil
Ca2+-ATPase in the E2 State
Descriptor: Sarcoplasmic/endoplasmic reticulum calcium ATPase 1a
Authors:Xu, C, Rice, W.J, He, W, Stokes, D.L.
Deposit date:2001-12-05
Release date:2001-12-19
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (6 Å)
Cite:A structural model for the catalytic cycle of Ca(2+)-ATPase.
J.Mol.Biol., 316, 2002
1U16
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BU of 1u16 by Molmil
Crystal structure of a duck-delta-crystallin-1 double loop mutant (DLM) in complex with sulfate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Delta crystallin I, ...
Authors:Tsai, M, Sampaleanu, L.M, Greene, C, Creagh, L, Haynes, C, Howell, P.L.
Deposit date:2004-07-14
Release date:2004-10-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A duck delta1 crystallin double loop mutant provides insight into residues important for argininosuccinate lyase activity.
Biochemistry, 43, 2004
1TOR
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BU of 1tor by Molmil
MOLECULAR DYNAMICS SIMULATION FROM 2D-NMR DATA OF THE FREE ACHR MIR DECAPEPTIDE AND THE ANTIBODY-BOUND [A76]MIR ANALOGUE
Descriptor: ACETYLCHOLINE RECEPTOR, MAIN IMMUNOGENIC REGION
Authors:Orlewski, P, Tsikaris, V, Sakarellos, C, Sakarellos-Daistiotis, M, Vatzaki, E, Tzartos, S.J, Marraud, M, Cung, M.T.
Deposit date:1995-10-11
Release date:1996-03-08
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Compared structures of the free nicotinic acetylcholine receptor main immunogenic region (MIR) decapeptide and the antibody-bound [A76]MIR analogue: a molecular dynamics simulation from two-dimensional NMR data.
Biopolymers, 40, 1996

238582

数据于2025-07-09公开中

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