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4UT7
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BU of 4ut7 by Molmil
CRYSTAL STRUCTURE OF THE SCFV FRAGMENT OF THE BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11
Descriptor: BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11
Authors: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:2024-11-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
3S5F
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BU of 3s5f by Molmil
Crystal structure of human frataxin variant W155F
Descriptor: Frataxin, mitochondrial, MAGNESIUM ION
Authors:Tsai, C.-L, Bridwell-Rabb, J, Barondeau, D.P.
Deposit date:2011-05-23
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Friedreich's Ataxia Variants I154F and W155R Diminish Frataxin-Based Activation of the Iron-Sulfur Cluster Assembly Complex.
Biochemistry, 50, 2011
4UUT
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BU of 4uut by Molmil
Crystal structure of the Ultrabithorax protein
Descriptor: CHLORIDE ION, HOMEOTIC PROTEIN ULTRABITHORAX, SULFATE ION
Authors:Foos, N, Mate, M.J, Ortiz-Lombardia, M.
Deposit date:2014-07-31
Release date:2015-02-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A Flexible Extension of the Drosophila Ultrabithorax Homeodomain Defines a Novel Hox/Pbc Interaction Mode.
Structure, 23, 2015
4UUO
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BU of 4uuo by Molmil
Apo Trichomonas vaginalis malate dehydrogenase
Descriptor: CYTOSOLIC MALATE DEHYDROGENASE
Authors:Steindel, P.A, Chen, E.H, Theobald, D.L.
Deposit date:2014-07-29
Release date:2015-08-12
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.842 Å)
Cite:Gradual Neofunctionalization in the Convergent Evolution of Trichomonad Lactate and Malate Dehydrogenases.
Protein Sci., 25, 2016
4UU2
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BU of 4uu2 by Molmil
Ferulic acid decarboxylase from Enterobacter sp., single mutant
Descriptor: FERULIC ACID DECARBOXYLASE, GLYCINE, PHOSPHATE ION, ...
Authors:Hromic, A, Pavkov-Keller, T, Steinkellner, G, Lyskowski, A, Wuensch, C, Gross, J, Fuchs, M, Fauland, K, Glueck, S.M, Faber, K, Gruber, K.
Deposit date:2014-07-24
Release date:2015-06-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Regioselective Enzymatic Beta-Carboxylation of Para-Hydroxy-Styrene Derivatives Catalyzed by Phenolic Acid Decarboxylases.
Adv. Synth. Catal., 357, 2015
4UWK
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BU of 4uwk by Molmil
Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors
Descriptor: (2S)-1-[(5-chloro-2-thienyl)methyl]-8-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidin-6-one, GLYCEROL, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, ...
Authors:Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B.
Deposit date:2014-08-12
Release date:2014-11-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
3S74
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BU of 3s74 by Molmil
The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase
Descriptor: 1-benzothiophene-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Snyder, P.W, Heroux, A, Whitesides, G.W.
Deposit date:2011-05-26
Release date:2011-10-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase.
Proc.Natl.Acad.Sci.USA, 108, 2011
4V17
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BU of 4v17 by Molmil
Structure of a novel carbohydrate binding module from glycoside hydrolase family 5 glucanase from Ruminococcus flavefaciens FD-1
Descriptor: CARBOHYDRATE BINDING MODULE
Authors:Venditto, I, Centeno, M.S.J, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S.
Deposit date:2014-09-25
Release date:2016-01-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition.
Proc.Natl.Acad.Sci.USA, 113, 2016
3SGV
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BU of 3sgv by Molmil
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1290
Descriptor: 2-{[3-(3,4-dimethylphenoxy)phenyl]carbamoyl}-4-nitrobenzoic acid, Undecaprenyl pyrophosphate synthase
Authors:Cao, R, Liu, Y.-L, Oldfield, E.
Deposit date:2011-06-15
Release date:2012-12-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4V0W
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BU of 4v0w by Molmil
The crystal structure of mouse PP1G in complex with truncated human PPP1R15B (631-669)
Descriptor: MANGANESE (II) ION, PROTEIN PHOSPHATASE 1 REGULATORY SUBUNIT 15B, SERINE/THREONINE-PROTEIN PHOSPHATASE PP1-GAMMA CATALYTIC SUBUNIT
Authors:Chen, R, Yan, Y, Casado, A.C, Ron, D, Read, R.J.
Deposit date:2014-09-18
Release date:2015-03-25
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:G-actin provides substrate-specificity to eukaryotic initiation factor 2 alpha holophosphatases.
Elife, 4, 2015
4UWL
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BU of 4uwl by Molmil
Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors
Descriptor: (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(3-methyl-2-oxobutyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SULFATE ION
Authors:Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B.
Deposit date:2014-08-12
Release date:2014-11-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
4UWH
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BU of 4uwh by Molmil
Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors
Descriptor: (8S)-9-[(2R)-2-hydroxy-2-phenylethyl]-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SODIUM ION
Authors:Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B.
Deposit date:2014-08-12
Release date:2014-11-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
4UYJ
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BU of 4uyj by Molmil
Crystal structure of a Signal Recognition Particle Alu domain in the elongation arrest conformation
Descriptor: SIGNAL RECOGNITION PARTICLE 14 KDA PROTEIN, SIGNAL RECOGNITION PARTICLE 9 KDA PROTEIN, SRP RNA
Authors:Bousset, L, Mary, C, Brooks, M.A, Scherrer, A, Strub, K, Cusack, S.
Deposit date:2014-09-01
Release date:2014-11-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Crystal Structure of a Signal Recognition Particle Alu Domain in the Elongation Arrest Conformation.
RNA, 20, 2014
4UTI
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BU of 4uti by Molmil
XenA - oxidized - Y183F variant in complex with coumarin
Descriptor: COUMARIN, FLAVIN MONONUCLEOTIDE, NADH:flavin oxidoreductase, ...
Authors:Werther, T, Dobbek, H.
Deposit date:2014-07-21
Release date:2015-08-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.099 Å)
Cite:Redox-dependent substrate-cofactor interactions in the Michaelis-complex of a flavin-dependent oxidoreductase
Nat Commun, 8, 2017
4UYI
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BU of 4uyi by Molmil
Crystal structure of the BTB domain of human SLX4 (BTBD12)
Descriptor: STRUCTURE-SPECIFIC ENDONUCLEASE SUBUNIT SLX4
Authors:Pinkas, D.M, Sanvitale, C.E, Strain-Damerell, C, Fairhead, M, Wang, D, Tallant, C, Cooper, C.D.O, Sorrell, F.J, Kopec, J, Chaikuad, A, Fitzpatrick, F, Pike, A.C.W, Hozjan, V, Ying, Z, Roos, A.K, Savitsky, P, Bradley, A, Nowak, R, Filippakopoulos, P, Krojer, T, Burgess-Brown, N.A, Marsden, B.D, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2014-09-01
Release date:2014-10-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal Structure of the Btb Domain of Human Slx4 (Btbd12)
To be Published
4UY3
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BU of 4uy3 by Molmil
Cytoplasmic domain of bacterial cell division protein ezra
Descriptor: SEPTATION RING FORMATION REGULATOR EZRA
Authors:Cleverley, R.M, Barrett, J.R, Basle, A, Khai-Bui, N, Hewitt, L, Solovyova, A, Xu, Z, Daniela, R.A, Dixon, N.E, Harry, E.J, Oakley, A.J, Vollmer, W, Lewis, R.J.
Deposit date:2014-08-28
Release date:2014-10-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and Function of a Spectrin-Like Regulator of Bacterial Cytokinesis.
Nat.Commun., 5, 2014
3K7L
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BU of 3k7l by Molmil
Structures of two elapid snake venom metalloproteases with distinct activities highlight the disulfide patterns in the D domain of ADAMalysin family proteins
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Atragin, CALCIUM ION, ...
Authors:Guan, H.H, Wu, W.G, Chen, C.J.
Deposit date:2009-10-13
Release date:2010-03-02
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of two elapid snake venom metalloproteases with distinct activities highlight the disulfide patterns in the D domain of ADAMalysin family proteins
J.Struct.Biol., 169, 2010
4UXH
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BU of 4uxh by Molmil
Leishmania major Thymidine Kinase in complex with AP5dT
Descriptor: P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE, THYMIDINE KINASE, ZINC ION
Authors:Timm, J, Bosch-Navarrete, C, Recio, E, Nettleship, J.E, Rada, H, Gonzalez-Pacanowska, D, Wilson, K.S.
Deposit date:2014-08-22
Release date:2015-05-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and Kinetic Characterization of Thymidine Kinase from Leishmania Major.
Plos Negl Trop Dis, 9, 2015
3S8D
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BU of 3s8d by Molmil
Crystal Structure of RipA from Yersinia pestis
Descriptor: Coenzyme A transferase
Authors:Torres, R, Goulding, C.W.
Deposit date:2011-05-27
Release date:2012-01-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Biochemical, structural and molecular dynamics analyses of the potential virulence factor RipA from Yersinia pestis.
Plos One, 6, 2011
4UZH
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BU of 4uzh by Molmil
SAR156497 an exquisitely selective inhibitor of Aurora kinases
Descriptor: (4S)-4-(2-fluorophenyl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b][1,7]naphthyridin-5-one, AURORA 2 KINASE DOMAIN
Authors:Pouzieux, S, Maignan, S, Crenne, J.Y.
Deposit date:2014-09-05
Release date:2014-11-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Sar156497 an Exquisitely Selective Inhibitor of Aurora Kinases.
J.Med.Chem., 58, 2015
4UZZ
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BU of 4uzz by Molmil
Crystal structure of the TtIFT52-46 complex
Descriptor: INTRAFLAGELLAR TRANSPORT COMPLEX B PROTEIN 46 CARBOXY-TERMINAL PROTEIN, INTRAFLAGELLAR TRANSPORTER-LIKE PROTEIN
Authors:Braeuer, P, Taschner, M, Lorentzen, E.
Deposit date:2014-09-09
Release date:2014-11-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.318 Å)
Cite:Crystal Structures of Ift70/52 and Ift52/46 Provide Insight Into Intraflagellar Transport B Core Complex Assembly.
J.Cell Biol., 207, 2014
3SIY
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BU of 3siy by Molmil
Crystal structure of a DUF1989 family protein (TM1040_0329) from SILICIBACTER SP. TM1040 at 1.35 A resolution
Descriptor: CHLORIDE ION, DUF1989 family protein, MAGNESIUM ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2011-06-20
Release date:2011-07-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of a DUF1989 family protein (TM1040_0329) from SILICIBACTER SP. TM1040 at 1.35 A resolution
To be published
4V36
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BU of 4v36 by Molmil
The structure of L-PGS from Bacillus licheniformis
Descriptor: 2,6-DIAMINO-HEXANOIC ACID AMIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LYSYL-TRNA-DEPENDENT L-YSYL-PHOSPHATIDYLGYCEROL SYNTHASE
Authors:Krausze, J, Hebecker, S, Heinz, D.W, Moser, J.
Deposit date:2014-10-16
Release date:2015-08-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of Two Bacterial Resistance Factors Mediating tRNA-Dependent Aminoacylation of Phosphatidylglycerol with Lysine or Alanine.
Proc.Natl.Acad.Sci.USA, 112, 2015
4V03
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BU of 4v03 by Molmil
MinD cell division protein, Aquifex aeolicus
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, SITE-DETERMINING PROTEIN
Authors:Trambaiolo, D, Lowe, J.
Deposit date:2014-09-10
Release date:2015-01-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mincd Cell Division Proteins Form Alternating Copolymeric Cytomotive Filaments.
Nat.Commun., 5, 2014
4V2Y
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BU of 4v2y by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Thalidomide
Descriptor: CEREBLON ISOFORM 4, S-Thalidomide, ZINC ION
Authors:Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
Deposit date:2014-10-15
Release date:2014-12-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Thalidomide Mimics Uridine Binding to an Aromatic Cage in Cereblon.
J.Struct.Biol., 188, 2014

238582

数据于2025-07-09公开中

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