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3CBL
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BU of 3cbl by Molmil
Crystal structure of human feline sarcoma viral oncogene homologue (v-FES) in complex with staurosporine and a consensus peptide
Descriptor: Proto-oncogene tyrosine-protein kinase Fes/Fps, STAUROSPORINE, Synthetic peptide
Authors:Filippakopoulos, P, Salah, E, Cooper, C, Picaud, S.S, Elkins, J.M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2008-02-22
Release date:2008-03-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Coupling of SH2-Kinase Domains Links Fes and Abl Substrate Recognition and Kinase Activation
Cell(Cambridge,Mass.), 134, 2008
4FOA
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BU of 4foa by Molmil
Crystal Structure of the Mtb ThyA in Complex with 5-fluoro-dUMP
Descriptor: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Thymidylate synthase
Authors:Reddy, M.C.M, Bruning, J.B, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-06-20
Release date:2013-08-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.253 Å)
Cite:Crystal structure of binary and ternary complexes of thymidylate synthase (ThyA) from Mycobacterium tuberculosis: Insights into the selectivity and mode of inhibition
To be Published
4FN7
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BU of 4fn7 by Molmil
Apo Structure of the Mtb enoyol CoA isomerase (Rv0632c)
Descriptor: CHLORIDE ION, Enoyl-CoA hydratase/isomerase family protein
Authors:Bruning, J.B, Gao, N, Hernandez, E.D, Li, H, Dang, N, Hung, L.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-06-19
Release date:2013-05-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:"Crystal Structure and Mechanism of the Prokaryotic Enoyl-CoA Isomerase (ECI)"
To be Published
4FN8
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BU of 4fn8 by Molmil
Crystal structure of the Mtb enoyl CoA isomerase (Rv0632c)in complex with acetoacetyl CoA
Descriptor: ACETOACETYL-COENZYME A, Enoyl-CoA hydratase/isomerase family protein, SULFATE ION
Authors:Bruning, J.B, Gao, N, Hernandez, E.D, Li, H, Dang, N, Hung, L.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-06-19
Release date:2013-05-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.831 Å)
Cite:Crystal structure and mechanism of the prokaryotic enoyl CoA isomerase (ECI)
To be Published
4FNB
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BU of 4fnb by Molmil
Crystal structure of the Mtb enoyl CoA isomerase (Rv0632c) in complex with hydroxybutyrl CoA
Descriptor: 3-HYDROXYBUTANOYL-COENZYME A, Enoyl-CoA hydratase/isomerase family protein, SULFATE ION
Authors:Bruning, J.B, Gao, N, Hernandez, E.D, Li, H, Dang, N, Hung, L.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-06-19
Release date:2013-05-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure and Mechanism of the Prokaryotic Enoyl CoA Isomerase
To be Published
1GH8
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BU of 1gh8 by Molmil
SOLUTION STRUCTURE OF THE ARCHAEAL TRANSLATION ELONGATION FACTOR 1BETA FROM METHANOBACTERIUM THERMOAUTOTROPHICUM
Descriptor: TRANSLATION ELONGATION FACTOR 1BETA
Authors:Kozlov, G, Ekiel, I, Gehring, K, Northeast Structural Genomics Consortium (NESG)
Deposit date:2000-11-30
Release date:2000-12-13
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Rapid fold and structure determination of the archaeal translation elongation factor 1beta from Methanobacterium thermoautotrophicum.
J.Biomol.NMR, 17, 2000
4XDK
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BU of 4xdk by Molmil
Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in complex with norfluoxetine
Descriptor: (3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Pike, A.C.W, Dong, Y.Y, Mackenzie, A, Mukhopadhyay, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2014-12-19
Release date:2015-03-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac.
Science, 347, 2015
1HZP
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BU of 1hzp by Molmil
Crystal Structure of the Myobacterium Tuberculosis Beta-Ketoacyl-Acyl Carrier Protein Synthase III
Descriptor: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE III, GLYCEROL, LAURIC ACID
Authors:Scarsdale, J.N, Kazanina, G, He, X, Reynolds, K.A, Wright, H.T, TB Structural Genomics Consortium (TBSGC)
Deposit date:2001-01-25
Release date:2001-06-13
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the Mycobacterium tuberculosis beta-ketoacyl-acyl carrier protein synthase III
J.Biol.Chem., 276, 2001
1F8I
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BU of 1f8i by Molmil
CRYSTAL STRUCTURE OF ISOCITRATE LYASE:NITROPROPIONATE:GLYOXYLATE COMPLEX FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor: GLYOXYLIC ACID, ISOCITRATE LYASE, MAGNESIUM ION, ...
Authors:Sharma, V, Sharma, S, Hoener zu Bentrup, K, McKinney, J.D, Russell, D.G, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2000-06-30
Release date:2000-12-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of isocitrate lyase, a persistence factor of Mycobacterium tuberculosis.
Nat.Struct.Biol., 7, 2000
1F8M
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BU of 1f8m by Molmil
CRYSTAL STRUCTURE OF 3-BROMOPYRUVATE MODIFIED ISOCITRATE LYASE (ICL) FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor: ISOCITRATE LYASE, MAGNESIUM ION, PYRUVIC ACID
Authors:Sharma, V, Sharma, S, Hoener zu Bentrup, K, McKinney, J.D, Russell, D.G, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2000-06-30
Release date:2000-12-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of isocitrate lyase, a persistence factor of Mycobacterium tuberculosis.
Nat.Struct.Biol., 7, 2000
6DXH
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BU of 6dxh by Molmil
Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with 4-(4-tert-butylphenyl)-4-oxobutanoate
Descriptor: 4-(4-tert-butylphenyl)-4-oxobutanoic acid, UNKNOWN ATOM OR ION, Ubiquitin carboxyl-terminal hydrolase 5, ...
Authors:Harding, R.J, Mann, M.K, Ravichandran, M, Ferreira de Freitas, R, Franzoni, I, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Schapira, M, Structural Genomics Consortium (SGC)
Deposit date:2018-06-28
Release date:2018-07-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Small Molecule Antagonists of the USP5 Zinc Finger Ubiquitin-Binding Domain.
J.Med.Chem., 62, 2019
3BPT
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BU of 3bpt by Molmil
Crystal structure of human beta-hydroxyisobutyryl-CoA hydrolase in complex with quercetin
Descriptor: (2R)-3-HYDROXY-2-METHYLPROPANOIC ACID, 3,5,7,3',4'-PENTAHYDROXYFLAVONE, 3-hydroxyisobutyryl-CoA hydrolase
Authors:Pilka, E.S, Phillips, C, King, O.N.F, Guo, K, von Delft, F, Pike, A.C.W, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2007-12-19
Release date:2008-01-08
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of human beta-hydroxyisobutyryl-CoA hydrolase in complex with quercetin.
To be Published
6DXT
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BU of 6dxt by Molmil
Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate
Descriptor: 1,2-ETHANEDIOL, 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid, UNKNOWN ATOM OR ION, ...
Authors:Mann, M.K, Harding, R.J, Ravichandran, M, Ferreira de Freitas, R, Franzoni, I, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Schapira, M, Structural Genomics Consortium (SGC)
Deposit date:2018-06-29
Release date:2018-08-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of Small Molecule Antagonists of the USP5 Zinc Finger Ubiquitin-Binding Domain.
J.Med.Chem., 62, 2019
4F0D
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BU of 4f0d by Molmil
Human ARTD15/PARP16 IN COMPLEX WITH 3-AMINOBENZAMIDE
Descriptor: 3-aminobenzamide, Poly [ADP-ribose] polymerase 16
Authors:Karlberg, T, Thorsell, A.G, Kallas, A, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2012-05-04
Release date:2012-06-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Human ADP-ribose Transferase ARTD15/PARP16 Reveals a Novel Putative Regulatory Domain.
J.Biol.Chem., 287, 2012
2GFO
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BU of 2gfo by Molmil
Structure of the Catalytic Domain of Human Ubiquitin Carboxyl-terminal Hydrolase 8
Descriptor: Ubiquitin carboxyl-terminal hydrolase 8, ZINC ION
Authors:Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Finerty Jr, P.J, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2006-03-22
Release date:2006-04-04
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Amino-terminal Dimerization, NRDP1-Rhodanese Interaction, and Inhibited Catalytic Domain Conformation of the Ubiquitin-specific Protease 8 (USP8).
J.Biol.Chem., 281, 2006
2RB4
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BU of 2rb4 by Molmil
Crystal structure of the Helicase domain of human DDX25 RNA helicase
Descriptor: ATP-dependent RNA helicase DDX25, CHLORIDE ION, SULFATE ION, ...
Authors:Lehtio, L, Hogbom, M, Uppenberg, J, Arrowsmith, C.H, Berglund, H, Edwards, A.M, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van den Berg, S, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC)
Deposit date:2007-09-18
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Comparative Structural Analysis of Human DEAD-Box RNA Helicases.
Plos One, 5, 2010
2RF5
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BU of 2rf5 by Molmil
Crystal structure of human tankyrase 1- catalytic PARP domain
Descriptor: GLYCEROL, Tankyrase-1, ZINC ION
Authors:Lehtio, L, Karlberg, T, Arrowsmith, C.H, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Thorsell, A.G, Tresaugues, L, van den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC)
Deposit date:2007-09-28
Release date:2007-10-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Zinc binding catalytic domain of human tankyrase 1.
J.Mol.Biol., 379, 2008
2RFI
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BU of 2rfi by Molmil
Crystal structure of catalytic domain of human euchromatic histone methyltransferase 1 in complex with SAH and dimethylated H3K9 peptide
Descriptor: Histone H3, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ...
Authors:Min, J, Wu, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2007-09-30
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structural biology of human H3K9 methyltransferases
Plos One, 5, 2010
4FIN
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BU of 4fin by Molmil
Crystal Structure of EttA (formerly YjjK) - an E. coli ABC-type ATPase
Descriptor: CITRIC ACID, EttA (YjjK) ABCF family protein, GLYCEROL, ...
Authors:Smith, P, Yuan, Y, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-06-09
Release date:2013-07-03
Last modified:2014-03-05
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The ABC-F protein EttA gates ribosome entry into the translation elongation cycle.
Nat.Struct.Mol.Biol., 21, 2014
1FYW
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BU of 1fyw by Molmil
CRYSTAL STRUCTURE OF THE TIR DOMAIN OF HUMAN TLR2
Descriptor: TOLL-LIKE RECEPTOR 2
Authors:Xu, Y, Tao, X, Shen, B, Horng, T, Medzhitov, R, Manley, J.L, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2000-10-03
Release date:2000-11-22
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for signal transduction by the Toll/interleukin-1 receptor domains.
Nature, 408, 2000
5KPE
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BU of 5kpe by Molmil
Solution NMR Structure of Denovo Beta Sheet Design Protein, Northeast Structural Genomics Consortium (NESG) Target OR664
Descriptor: De novo Beta Sheet Design Protein OR664
Authors:Tang, Y, Liu, G, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2016-07-03
Release date:2016-09-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
5KPH
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BU of 5kph by Molmil
Solution NMR Structure of Denovo Beta Sheet Design Protein, Northeast Structural Genomics Consortium (NESG) Target OR485
Descriptor: De novo Beta Sheet Design Protein OR485
Authors:Tang, Y, Liu, G, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2016-07-04
Release date:2016-09-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
2QG1
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BU of 2qg1 by Molmil
Crystal structure of the 11th PDZ domain of MPDZ (MUPP1)
Descriptor: 1,2-ETHANEDIOL, Multiple PDZ domain protein
Authors:Papagrigoriou, E, Salah, E, Phillips, C, Savitsky, P, Boisguerin, P, Oschkinat, H, Gileadi, C, Yang, X, Elkins, J.M, Ugochukwu, E, Bunkoczi, G, Uppenberg, J, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Doyle, D, Structural Genomics Consortium (SGC)
Deposit date:2007-06-28
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of the 11th PDZ domain of MPDZ (MUPP1).
To be Published
3KHE
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BU of 3khe by Molmil
Crystal structure of the calcium-loaded calmodulin-like domain of the CDPK, 541.m00134 from toxoplasma gondii
Descriptor: CALCIUM ION, Calmodulin-like domain protein kinase isoform 3, GLYCEROL, ...
Authors:Wernimont, A.K, Hutchinson, A, Artz, J.D, Mackenzie, F, Cossar, D, Kozieradzki, I, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Hui, R, Qiu, W, Amani, M, Structural Genomics Consortium (SGC)
Deposit date:2009-10-30
Release date:2010-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of parasitic CDPK domains point to a common mechanism of activation.
Proteins, 79, 2011
3BYI
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BU of 3byi by Molmil
Crystal structure of human Rho GTPase activating protein 15 (ARHGAP15)
Descriptor: Rho GTPase activating protein 15
Authors:Shrestha, L, Tickle, J, Elkins, J, Burgess-Brown, N, Johansson, C, Papagrigoriou, E, Kavanagh, K, Pike, A.C.W, Ugochukwu, E, Uppenberg, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Doyle, D, Structural Genomics Consortium (SGC)
Deposit date:2008-01-16
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of Human Rho GTPase Activating Protein 15 (ARHGAP15).
To be Published

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