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3U0A
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BU of 3u0a by Molmil
Crystal structure of an Acyl-CoA thioesterase II TesB2 from Mycobacterium marinum
Descriptor: Acyl-CoA thioesterase II TesB2, GLYCEROL, SODIUM ION, ...
Authors:Arakaki, T.L, Staker, B.L, Clifton, M.C, Sankaran, B, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-09-28
Release date:2011-10-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4IZW
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BU of 4izw by Molmil
The E41L mutant of the amidase from Nesterenkonia sp. AN1 showing covalent addition of the acetamide moiety of fluoroacetamide at the active site cysteine
Descriptor: 2-fluoroacetamide, ACETAMIDE, Amidase
Authors:Kimani, S.W, Sewell, B.T.
Deposit date:2013-01-30
Release date:2014-02-12
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Covalent modifications of the active site cysteine occur as a result of mutating the glutamate of the catalytic triad in the amidase from Nesterenkonia sp.
To be Published
3U7X
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BU of 3u7x by Molmil
Crystal structure of the human eIF4E-4EBP1 peptide complex without cap
Descriptor: Eukaryotic translation initiation factor 4E, Eukaryotic translation initiation factor 4E-binding protein 1, SULFATE ION, ...
Authors:Siddiqui, N, Tempel, W, Nedyalkova, L, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Borden, K.L.B, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2011-10-14
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Insights into the Allosteric Effects of 4EBP1 on the Eukaryotic Translation Initiation Factor eIF4E.
J.Mol.Biol., 415, 2012
3U1T
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BU of 3u1t by Molmil
Haloalkane Dehalogenase, DmmA, of marine microbial origin
Descriptor: CHLORIDE ION, DmmA Haloalkane Dehalogenase, MALONATE ION
Authors:Gehret, J.J, Smith, J.L.
Deposit date:2011-09-30
Release date:2011-12-28
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and activity of DmmA, a marine haloalkane dehalogenase.
Protein Sci., 21, 2012
3U5K
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BU of 3u5k by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with Midazolam
Descriptor: 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2011-10-11
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Benzodiazepines and benzotriazepines as protein interaction inhibitors targeting bromodomains of the BET family.
Bioorg.Med.Chem., 20, 2012
3GK8
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BU of 3gk8 by Molmil
X-ray crystal structure of the Fab from MAb 14, mouse antibody against Canine Parvovirus
Descriptor: Fab 14 Heavy Chain, Fab 14 Light Chain
Authors:Hafenstein, S, Bowman, V, Sun, T, Nelson, C, Palermo, L, Chipman, P, Battisti, A, Parrish, C.
Deposit date:2009-03-10
Release date:2009-06-16
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural comparison of different antibodies interacting with parvovirus capsids.
J.Virol., 83, 2009
3RL5
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BU of 3rl5 by Molmil
Rat metallophosphodiesterase MPPED2 H67R Mutant
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Metallophosphoesterase MPPED2, ...
Authors:Podobnik, M, Dermol, U.
Deposit date:2011-04-19
Release date:2011-08-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Unique utilization of a phosphoprotein phosphatase fold by a mammalian phosphodiesterase associated with WAGR syndrome.
J.Mol.Biol., 412, 2011
2PWJ
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BU of 2pwj by Molmil
Structure of a mitochondrial type II peroxiredoxin from Pisum sativum
Descriptor: Mitochondrial peroxiredoxin
Authors:Lopez-Jaramillo, F.J, Barranco-Medina, S, Lazaro, J.J, Santoyo-Gonzalez, F.
Deposit date:2007-05-11
Release date:2008-05-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of a mitochondrial type II peroxiredoxin from Pisum sativum
To be Published
3RLG
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BU of 3rlg by Molmil
Crystal structure of Loxosceles intermedia phospholipase D isoform 1 H12A mutant
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Giuseppe, P.O, Ullah, A, Veiga, S.S, Murakami, M.T, Arni, R.K.
Deposit date:2011-04-19
Release date:2011-08-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallization and preliminary X-ray diffraction analysis of a class II phospholipase D from Loxosceles intermedia venom.
Acta Crystallogr.,Sect.F, 67, 2011
4J5F
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BU of 4j5f by Molmil
Crystal Structure of B. thuringiensis AiiA mutant F107W
Descriptor: GLYCEROL, N-acyl homoserine lactonase, ZINC ION
Authors:Liu, C.F, Liu, D, Momb, J, Thomas, P.W, Lajoie, A, Petsko, G.A, Fast, W, Ringe, D.
Deposit date:2013-02-08
Release date:2013-06-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:A phenylalanine clamp controls substrate specificity in the quorum-quenching metallo-gamma-lactonase from Bacillus thuringiensis.
Biochemistry, 52, 2013
3F5T
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BU of 3f5t by Molmil
X-ray Structure of H5N1 NS1
Descriptor: Nonstructural protein 1
Authors:Bornholdt, Z.A, Prasad, B.V.V.
Deposit date:2008-11-04
Release date:2008-11-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:X-ray structure of NS1 from a highly pathogenic H5N1 influenza virus
Nature, 456, 2008
3RL7
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BU of 3rl7 by Molmil
Crystal structure of hDLG1-PDZ1 complexed with APC
Descriptor: 11-mer peptide from Adenomatous polyposis coli protein, Disks large homolog 1
Authors:Zhang, Z, Li, H, Wu, G.
Deposit date:2011-04-19
Release date:2011-12-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis for the recognition of adenomatous polyposis coli by the Discs Large 1 protein.
Plos One, 6, 2011
3F61
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BU of 3f61 by Molmil
Crystal Structure of M. tuberculosis PknB Leu33Asp/Val222Asp double mutant in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase pknB
Authors:Mieczkowski, C.A, Alber, T, TB Structural Genomics Consortium (TBSGC)
Deposit date:2008-11-05
Release date:2008-12-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Auto-activation mechanism of the Mycobacterium tuberculosis PknB receptor Ser/Thr kinase.
Embo J., 27, 2008
3F69
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BU of 3f69 by Molmil
Crystal structure of the Mycobacterium tuberculosis PknB mutant kinase domain in complex with KT5720
Descriptor: SULFATE ION, Serine/threonine-protein kinase pknB, hexyl (5S,6R,8R)-6-hydroxy-5-methyl-13-oxo-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]c yclopenta[e]-as-indacene-6-carboxylate
Authors:Alber, T, Mieczkowski, C.A, TB Structural Genomics Consortium (TBSGC)
Deposit date:2008-11-05
Release date:2008-12-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Auto-activation mechanism of the Mycobacterium tuberculosis PknB receptor Ser/Thr kinase.
Embo J., 27, 2008
3ROP
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BU of 3rop by Molmil
Crystal structure of human CD38 in complex with compound CZ-50b
Descriptor: 2-deoxy-2-fluoro-5-O-phosphono-alpha-D-ribofuranose, ADP-ribosyl cyclase 1, NICOTINAMIDE
Authors:Zhang, H, Lee, H.C, Hao, Q.
Deposit date:2011-04-26
Release date:2011-12-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Catalysis-based inhibitors of the calcium signaling function of CD38.
Biochemistry, 51, 2012
3F72
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BU of 3f72 by Molmil
Crystal Structure of the Staphylococcus aureus pI258 CadC Metal Binding Site 2 Mutant
Descriptor: Cadmium efflux system accessory protein, SODIUM ION
Authors:Kandegedara, A, Thiyagarajan, S, Kondapalli, K.C, Stemmler, T.L, Rosen, B.P.
Deposit date:2008-11-07
Release date:2009-04-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Role of bound Zn(II) in the CadC Cd(II)/Pb(II)/Zn(II)-responsive repressor.
J.Biol.Chem., 284, 2009
3FI8
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BU of 3fi8 by Molmil
Crystal structure of choline kinase from Plasmodium Falciparum, PF14_0020
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Choline kinase, MAGNESIUM ION, ...
Authors:Wernimont, A.K, Pizarro, J.C, Artz, J.D, Amaya, M.F, Xiao, T, Lew, J, Wasney, G, Senesterra, G, Kozieradzki, I, Cossar, D, Vedadi, M, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2008-12-11
Release date:2009-02-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of choline kinase from Plasmodium Falciparum, PF14_0020
TO BE PUBLISHED
3RS7
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BU of 3rs7 by Molmil
H-Ras soaked in 50% isopropanol: 1 of 10 in MSCS set
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Mattos, C, Buhrman, G, Kearney, B.
Deposit date:2011-05-02
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Analysis of Binding Site Hot Spots on the Surface of Ras GTPase.
J.Mol.Biol., 413, 2011
4JDB
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BU of 4jdb by Molmil
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-005
Descriptor: 5-[2-(7-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
Authors:Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
Deposit date:2013-02-24
Release date:2014-02-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-005
To be Published
3FK2
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BU of 3fk2 by Molmil
Crystal structure of the RhoGAP domain of human glucocorticoid receptor DNA-binding factor 1
Descriptor: Glucocorticoid receptor DNA-binding factor 1, UNKNOWN ATOM OR ION
Authors:Nedyalkova, L, Tong, Y, Tempel, W, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2008-12-15
Release date:2008-12-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the RhoGAP domain of human glucocorticoid receptor DNA-binding factor 1
To be Published
4JDY
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BU of 4jdy by Molmil
Crystal structure of Rv2606c
Descriptor: GLYCEROL, Pyridoxal biosynthesis lyase PdxS
Authors:Kim, S, Kim, K.-J.
Deposit date:2013-02-25
Release date:2013-05-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Mycobacterium tuberculosis Rv2606c: a pyridoxal biosynthesis lyase.
Biochem.Biophys.Res.Commun., 435, 2013
3QZT
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BU of 3qzt by Molmil
Crystal Structure of BPTF bromo in complex with histone H4K16ac - Form II
Descriptor: GLYCEROL, Histone H4, Nucleosome-remodeling factor subunit BPTF
Authors:Li, H, Ruthenburg, A.J, Patel, D.J.
Deposit date:2011-03-07
Release date:2011-06-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Recognition of a Mononucleosomal Histone Modification Pattern by BPTF via Multivalent Interactions.
Cell(Cambridge,Mass.), 145, 2011
3FL6
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BU of 3fl6 by Molmil
Influence of the incorporation of a cyclohexenyl nucleic acid (CeNA) residue onto the sequence d(GCGTGCG)/d(CGCACGC)
Descriptor: 5'-D(*CP*GP*CP*AP*CP*GP*C)-3', 5'-D(*GP*CP*GP*(XTR)P*GP*CP*G)-3', COBALT HEXAMMINE(III)
Authors:Robeyns, K, Herdewijn, P, Van Meervelt, L.
Deposit date:2008-12-18
Release date:2009-12-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Direct observation of two cyclohexenyl (CeNA) ring conformations in duplex DNA.
Artif DNA PNA XNA, 1, 2010
4JFZ
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BU of 4jfz by Molmil
Structure of phosphoserine (pSAb) scaffold bound to pSer peptide
Descriptor: Fab heavy chain, Fab light chain, PROPANOIC ACID, ...
Authors:Koerber, J.T, Thomsen, N.D, Hannigan, B.T, Degrado, W.F, Wells, J.A.
Deposit date:2013-02-28
Release date:2013-08-28
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Nature-inspired design of motif-specific antibody scaffolds.
Nat.Biotechnol., 31, 2013
2PLW
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BU of 2plw by Molmil
Crystal structure of a ribosomal RNA methyltransferase, putative, from Plasmodium falciparum (PF13_0052).
Descriptor: Ribosomal RNA methyltransferase, putative, S-ADENOSYLMETHIONINE, ...
Authors:Wernimont, A.K, Hassanali, A, Lin, L, Lew, J, Zhao, Y, Ravichandran, M, Wasney, G, Vedadi, M, Kozieradzki, I, Schapira, M, Bochkarev, A, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Hui, R, Qiu, W, Structural Genomics Consortium (SGC)
Deposit date:2007-04-20
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of a ribosomal RNA methyltransferase, putative, from Plasmodium falciparum (PF13_0052).
To be Published

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