3QYP
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![BU of 3qyp by Molmil](/molmil-images/mine/3qyp) | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, glu47asn mutant complexed with calcium and phosphate | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | Deposit date: | 2011-03-03 | Release date: | 2011-04-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase. Biochemistry, 50, 2011
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4F6A
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![BU of 4f6a by Molmil](/molmil-images/mine/4f6a) | High-resolution x-ray Structure of the tetramutant of BH1408 protein from Bacillus halodurans, Northeast Structural Genomics Consortium (NESG) Target BhR182 | Descriptor: | BH1408 protein, UNKNOWN LIGAND | Authors: | Kuzin, A, Neely, H, Odukwe, N, Seetharaman, J, Patel, P, Xiao, R, Kohan, E, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-05-14 | Release date: | 2012-06-13 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.009 Å) | Cite: | Northeast Structural Genomics Consortium Target BhR182 To be Published
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4LP1
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![BU of 4lp1 by Molmil](/molmil-images/mine/4lp1) | Crystal structure of CyaY protein from Psychromonas ingrahamii in complex with Eu(III) | Descriptor: | EUROPIUM (III) ION, Protein CyaY | Authors: | Noguera, M.E, Roman, E.A, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J. | Deposit date: | 2013-07-14 | Release date: | 2014-07-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.803 Å) | Cite: | Structural characterization of metal binding to a cold-adapted frataxin J.Biol.Inorg.Chem., 20, 2015
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3PIY
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![BU of 3piy by Molmil](/molmil-images/mine/3piy) | Crystal structure of BTK kinase domain complexed with R406 | Descriptor: | 6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one, Tyrosine-protein kinase BTK | Authors: | Kuglstatter, A, Wong, A. | Deposit date: | 2010-11-08 | Release date: | 2011-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures. Protein Sci., 20, 2011
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6JO5
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![BU of 6jo5 by Molmil](/molmil-images/mine/6jo5) | Structure of the green algal photosystem I supercomplex with light-harvesting complex I | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Suga, M, Miyazaki, N, Takahashi, Y. | Deposit date: | 2019-03-20 | Release date: | 2019-06-19 | Last modified: | 2019-06-26 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structure of the green algal photosystem I supercomplex with a decameric light-harvesting complex I. Nat.Plants, 5, 2019
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6JLU
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![BU of 6jlu by Molmil](/molmil-images/mine/6jlu) | Structure of PSII-FCP supercomplex from a centric diatom Chaetoceros gracilis at 3.02 angstrom resolution | Descriptor: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | Authors: | Pi, X, Zhao, S, Wang, W, Kuang, T, Sui, S, Shen, J. | Deposit date: | 2019-03-06 | Release date: | 2019-07-31 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (3.02 Å) | Cite: | The pigment-protein network of a diatom photosystem II-light-harvesting antenna supercomplex. Science, 365, 2019
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3WV9
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![BU of 3wv9 by Molmil](/molmil-images/mine/3wv9) | Guanylylpyridinol (GP)- and ATP-bound HcgE from Methanothermobacter marburgensis | Descriptor: | 5'-O-[(S)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine, ADENOSINE-5'-TRIPHOSPHATE, Hmd co-occurring protein HcgE, ... | Authors: | Fujishiro, T, Ermler, U, Shima, S. | Deposit date: | 2014-05-16 | Release date: | 2015-04-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Protein-pyridinol thioester precursor for biosynthesis of the organometallic acyl-iron ligand in [Fe]-hydrogenase cofactor Nat Commun, 6, 2015
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4FI4
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![BU of 4fi4 by Molmil](/molmil-images/mine/4fi4) | Crystal structure of mannonate dehydratase PRK15072 (TARGET EFI-502214) from Caulobacter sp. K31 | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-06-07 | Release date: | 2012-06-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Enolase Prk15072 (Target Efi-502214) from Caulobacter Sp. K31 To be Published
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6BJE
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![BU of 6bje by Molmil](/molmil-images/mine/6bje) | |
3I7X
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![BU of 3i7x by Molmil](/molmil-images/mine/3i7x) | High pressure structure of I106A RNase A variant (0.35 GPa) | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic | Authors: | Lewinski, K, Kurpiewska, K, Dziubek, K, Katrusiak, A, Font, J, Ribo, M, Vilanova, M. | Deposit date: | 2009-07-09 | Release date: | 2009-08-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural investigation of ribonuclease A conformational preferences using high pressure protein crystallography Chem.Phys., 468, 2016
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3PIZ
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![BU of 3piz by Molmil](/molmil-images/mine/3piz) | |
3PJ3
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7DEJ
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![BU of 7dej by Molmil](/molmil-images/mine/7dej) | Structure of human ORP3 ORD in apo-form | Descriptor: | Oxysterol-binding protein-related protein 3 | Authors: | Tong, J, Tan, L, Im, Y.J. | Deposit date: | 2020-11-04 | Release date: | 2021-03-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of human ORP3 ORD reveals conservation of a key function and ligand specificity in OSBP-related proteins. Plos One, 16, 2021
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7DEI
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![BU of 7dei by Molmil](/molmil-images/mine/7dei) | Structure of human ORP3 ORD domain in complex with PI(4)P | Descriptor: | (2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, Oxysterol-binding protein-related protein 3 | Authors: | Tong, J, Tan, L, Im, Y.J. | Deposit date: | 2020-11-04 | Release date: | 2021-03-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of human ORP3 ORD reveals conservation of a key function and ligand specificity in OSBP-related proteins. Plos One, 16, 2021
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3PIK
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![BU of 3pik by Molmil](/molmil-images/mine/3pik) | Outer membrane protein CusC | Descriptor: | Cation efflux system protein cusC, SULFATE ION, UNKNOWN LIGAND | Authors: | van den Berg, B. | Deposit date: | 2010-11-06 | Release date: | 2011-02-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Escherichia coli CusC, the Outer Membrane Component of a Heavy Metal Efflux Pump. Plos One, 6, 2011
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4L7E
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![BU of 4l7e by Molmil](/molmil-images/mine/4l7e) | Three dimensional structure of mutant D78A of human HD domain-containing protein 2, Genomics Consortium (NESG) Target HR6723 | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, HD domain-containing protein 2, ... | Authors: | Kuzin, A, Su, M, Yakunin, A, Beloglazova, N, Seetharaman, J, Maglaqui, M, Xiao, R, Lee, D, Brown, G, Flick, R, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-06-13 | Release date: | 2013-07-24 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.229 Å) | Cite: | Northeast Structural Genomics Consortium Target HR6723 To be Published
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3V1C
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![BU of 3v1c by Molmil](/molmil-images/mine/3v1c) | Crystal structure of de novo designed MID1-zinc | Descriptor: | Computational design, MID1-zinc, L(+)-TARTARIC ACID, ... | Authors: | Der, B.S, Machius, M, Miley, M.J, Kuhlman, B. | Deposit date: | 2011-12-09 | Release date: | 2012-01-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.129 Å) | Cite: | Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer. J.Am.Chem.Soc., 134, 2012
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3PIX
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![BU of 3pix by Molmil](/molmil-images/mine/3pix) | |
3PJ2
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3KTS
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![BU of 3kts by Molmil](/molmil-images/mine/3kts) | CRYSTAL STRUCTURE OF GLYCEROL UPTAKE OPERON ANTITERMINATOR REGULATORY PROTEIN FROM LISTERIA MONOCYTOGENES STR. 4b F2365 | Descriptor: | Glycerol uptake operon antiterminator regulatory protein, UNKNOWN LIGAND | Authors: | Patskovsky, Y, Toro, R, Freeman, J, Do, J, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-11-25 | Release date: | 2009-12-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | CRYSTAL STRUCTURE OF GLYCEROL UPTAKE OPERON ANTITERMINATOR REGULATORY PROTEIN FROM LISTERIA MONOCYTOGENES STR. 4b F2365 To be Published
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3DYG
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![BU of 3dyg by Molmil](/molmil-images/mine/3dyg) | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-461 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, ACETATE ION, ... | Authors: | Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E. | Deposit date: | 2008-07-27 | Release date: | 2009-05-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation. J.Am.Chem.Soc., 131, 2009
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6IGZ
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![BU of 6igz by Molmil](/molmil-images/mine/6igz) | Structure of PSI-LHCI | Descriptor: | (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Xiong, P, Xiaochun, Q. | Deposit date: | 2018-09-27 | Release date: | 2019-02-13 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Structure of a green algal photosystem I in complex with a large number of light-harvesting complex I subunits. Nat Plants, 5, 2019
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4JEV
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![BU of 4jev by Molmil](/molmil-images/mine/4jev) | N-acetylornithine aminotransferase from S. typhimurium complexed with gabaculine | Descriptor: | 3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZOIC ACID, ACETATE ION, Acetylornithine/succinyldiaminopimelate aminotransferase, ... | Authors: | Bisht, S, Bharath, S.R, Murthy, M.R.N. | Deposit date: | 2013-02-27 | Release date: | 2014-03-26 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Conformational transitions, ligand specificity and catalysis in N-acetylornithine aminotransferase: Implications on drug designing and rational enzyme engineering in omega aminotransferases. To be Published
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4CW1
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![BU of 4cw1 by Molmil](/molmil-images/mine/4cw1) | COMPLEX OF A B14 CHICKEN MHC CLASS I MOLECULE AND A 9MER CHICKEN PEPTIDE | Descriptor: | BETA-2-MICROGLOBULIN, MAJOR HISTOCOMPATIBILITY COMPLEX CLASS I GLYCOPROTEIN HAPLOTYPE B14, PEPTIDE | Authors: | Chappell, P.E, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M. | Deposit date: | 2014-03-31 | Release date: | 2015-05-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding. Elife, 4, 2015
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4D0D
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![BU of 4d0d by Molmil](/molmil-images/mine/4d0d) | COMPLEX OF A B2 CHICKEN MHC CLASS I MOLECULE AND A 8MER CHICKEN PEPTIDE | Descriptor: | BETA-2-MICROGLOBULIN, MAJOR HISTOCOMPATIBILITY COMPLEX CLASS I GLYCOPROTEIN HAPLOTYPE B2, SLP-76 ADAPTOR PROTEIN | Authors: | Chappell, P.E, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M. | Deposit date: | 2014-04-25 | Release date: | 2015-05-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.13 Å) | Cite: | Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding. Elife, 4, 2015
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