3WEK
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![BU of 3wek by Molmil](/molmil-images/mine/3wek) | Crystal structure of the human squalene synthase F288L mutant in complex with presqualene pyrophosphate | Descriptor: | MAGNESIUM ION, Squalene synthase, {(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H.J. | Deposit date: | 2013-07-07 | Release date: | 2014-02-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural insights into the catalytic mechanism of human squalene synthase. Acta Crystallogr.,Sect.D, 70, 2014
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3TKZ
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![BU of 3tkz by Molmil](/molmil-images/mine/3tkz) | Structure of the SHP-2 N-SH2 domain in a 1:2 complex with RVIpYFVPLNR peptide | Descriptor: | PROTEIN (RVIpYFVPLNR peptide), Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Zhang, Y, Zhang, J, Yuan, C, Hard, R.L, Park, I.H, Li, C, Bell, C.E, Pei, D. | Deposit date: | 2011-08-29 | Release date: | 2011-10-26 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Simultaneous binding of two peptidyl ligands by a SRC homology 2 domain. Biochemistry, 50, 2011
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4BBT
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![BU of 4bbt by Molmil](/molmil-images/mine/4bbt) | The PR1 Photocycle Intermediate of Photoactive Yellow Protein | Descriptor: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | Authors: | Schotte, F, Cho, H.S, Kaila, V.R.I, Kamikubo, H, Dashdorj, N, Henry, E.R, Graber, T.J, Henning, R, Wulff, M, Hummer, G, Kataoka, M, Anfinrud, P.A. | Deposit date: | 2012-09-27 | Release date: | 2012-11-14 | Last modified: | 2019-01-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Watching a Signaling Protein Function in Real Time Via 100-Ps Time-Resolved Laue Crystallography. Proc.Natl.Acad.Sci.USA, 109, 2012
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3U71
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![BU of 3u71 by Molmil](/molmil-images/mine/3u71) | Crystal Structure Analysis of South African wild type HIV-1 Subtype C Protease | Descriptor: | HIV-1 Protease | Authors: | Naicker, P, Fanucchi, S, Achilonu, I.A, Fernandes, M.A, Dirr, H.W, Sayed, Y. | Deposit date: | 2011-10-13 | Release date: | 2012-10-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Crystal structure analysis of South African wild type HIV-1 subtype C apo protease To be Published
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3U7R
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![BU of 3u7r by Molmil](/molmil-images/mine/3u7r) | FerB - flavoenzyme NAD(P)H:(acceptor) oxidoreductase (FerB) from Paracoccus denitrificans | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, NADPH-dependent FMN reductase, NONAETHYLENE GLYCOL | Authors: | Marek, J, Klumpler, T, Sedlacek, V, Kucera, I. | Deposit date: | 2011-10-14 | Release date: | 2012-10-24 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Structural and Functional Basis of Catalysis Mediated by NAD(P)H:acceptor Oxidoreductase (FerB) of Paracoccus denitrificans. Plos One, 9, 2014
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3TLM
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![BU of 3tlm by Molmil](/molmil-images/mine/3tlm) | Crystal Structure of Endoplasmic Reticulum Ca2+-ATPase (SERCA) From Bovine Muscle | Descriptor: | CALCIUM ION, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | Authors: | Sacchetto, R, Bertipaglia, I, Giannetti, S, Cendron, L, Mascarello, F, Damiani, E, Carafoli, E, Zanotti, G. | Deposit date: | 2011-08-30 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal structure of sarcoplasmic reticulum Ca(2+)-ATPase (SERCA) from bovine muscle. J.Struct.Biol., 178, 2012
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3U0V
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![BU of 3u0v by Molmil](/molmil-images/mine/3u0v) | Crystal Structure Analysis of human LYPLAL1 | Descriptor: | Lysophospholipase-like protein 1 | Authors: | Burger, M, Zimmermann, T.J, Kondoh, Y, Stege, P, Watanabe, N, Osada, H, Waldmann, H, Vetter, I.R. | Deposit date: | 2011-09-29 | Release date: | 2011-11-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Crystal structure of the predicted phospholipase LYPLAL1 reveals unexpected functional plasticity despite close relationship to acyl protein thioesterases J.Lipid Res., 53, 2012
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3QFK
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![BU of 3qfk by Molmil](/molmil-images/mine/3qfk) | 2.05 Angstrom Crystal Structure of Putative 5'-Nucleotidase from Staphylococcus aureus in complex with alpha-ketoglutarate | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Minasov, G, Wawrzak, Z, Krishna, S.N, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Kiryukhina, O, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-01-21 | Release date: | 2011-02-09 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | 2.05 Angstrom Crystal Structure of Putative 5'-Nucleotidase from Staphylococcus aureus in complex with alpha-ketoglutarate. TO BE PUBLISHED
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4B55
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![BU of 4b55 by Molmil](/molmil-images/mine/4b55) | Crystal Structure of the Covalent Adduct Formed between Mycobacterium marinum Aryalamine N-acetyltransferase and Phenyl vinyl ketone a derivative of Piperidinols | Descriptor: | 3-hydroxy-1-phenylpropan-1-one, ARYLAMINE N-ACETYLTRANSFERASE NAT | Authors: | Abuhammad, A, Fullam, E, Lowe, E.D, Staunton, D, Kawamura, A, Westwood, I.M, Bhakta, S, Garner, A.C, Wilson, D.L, Seden, P.T, Davies, S.G, Russell, A.J, Garman, E.F, Sim, E. | Deposit date: | 2012-08-02 | Release date: | 2013-01-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Piperidinols that Show Anti-Tubercular Activity as Inhibitors of Arylamine N-Acetyltransferase: An Essential Enzyme for Mycobacterial Survival Inside Macrophages. Plos One, 7, 2012
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3QHP
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![BU of 3qhp by Molmil](/molmil-images/mine/3qhp) | |
4ARL
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![BU of 4arl by Molmil](/molmil-images/mine/4arl) | Structure of the inactive pesticin D207A mutant | Descriptor: | PESTICIN | Authors: | Zeth, K, Patzer, S.I, Albrecht, R, Braun, V. | Deposit date: | 2012-04-25 | Release date: | 2012-05-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Structure and Mechanistic Studies of Pesticin, a Bacterial Homolog of Phage Lysozymes. J.Biol.Chem., 287, 2012
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3Q9U
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![BU of 3q9u by Molmil](/molmil-images/mine/3q9u) | In silico and in vitro co-evolution of a high affinity complementary protein-protein interface | Descriptor: | COENZYME A, CoA binding protein, consensus ankyrin repeat | Authors: | Karanicolas, J, Corn, J.E, Chen, I, Joachimiak, L.A, Dym, O, Chung, S, Albeck, S, Unger, T, Hu, W, Liu, G, Delbecq, S, Montelione, G.T, Spiegel, C, Liu, D, Baker, D, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-01-10 | Release date: | 2011-04-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A de novo protein binding pair by computational design and directed evolution. Mol.Cell, 42, 2011
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3WGK
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![BU of 3wgk by Molmil](/molmil-images/mine/3wgk) | STAPHYLOCOCCUS AUREUS FTSZ T7 mutant substituted for GAG, DeltaT7GAG-GDP | Descriptor: | Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE | Authors: | Han, X, Matsui, T, Yu, J, Tanaka, I, Yao, M. | Deposit date: | 2013-08-06 | Release date: | 2013-12-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.799 Å) | Cite: | Structural change in FtsZ Induced by intermolecular interactions between bound GTP and the T7 loop J.Biol.Chem., 289, 2014
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3QG7
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![BU of 3qg7 by Molmil](/molmil-images/mine/3qg7) | Structural Basis for Ligand Recognition and Discrimination of a Quorum Quenching Antibody | Descriptor: | AP4-24H11 Antibody Heavy Chain, AP4-24H11 Antibody Light Chain, HEXAETHYLENE GLYCOL, ... | Authors: | Kirchdoerfer, R.K, Kaufmann, G.F, Janda, J.D, Wilson, I.A. | Deposit date: | 2011-01-24 | Release date: | 2011-03-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Structural Basis for Ligand Recognition and Discrimination of a Quorum-quenching Antibody. J.Biol.Chem., 286, 2011
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3W9Z
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![BU of 3w9z by Molmil](/molmil-images/mine/3w9z) | Crystal structure of DusC | Descriptor: | FLAVIN MONONUCLEOTIDE, tRNA-dihydrouridine synthase C | Authors: | Chen, M, Yu, J, Tanaka, Y, Tanaka, I, Yao, M. | Deposit date: | 2013-04-19 | Release date: | 2013-07-31 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of dihydrouridine synthase C (DusC) from Escherichia coli Acta Crystallogr.,Sect.F, 69, 2013
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3WEJ
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![BU of 3wej by Molmil](/molmil-images/mine/3wej) | Crystal structure of the human squalene synthase F288A mutant in complex with presqualene pyrophosphate | Descriptor: | MAGNESIUM ION, Squalene synthase, {(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H.J. | Deposit date: | 2013-07-07 | Release date: | 2014-02-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insights into the catalytic mechanism of human squalene synthase. Acta Crystallogr.,Sect.D, 70, 2014
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3WIK
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![BU of 3wik by Molmil](/molmil-images/mine/3wik) | Crystal structure of the CK2alpha/compound10 complex | Descriptor: | Casein kinase II subunit alpha, N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide | Authors: | Kinoshita, T, Nakaniwa, T, Sekiguchi, Y, Nakanishi, I. | Deposit date: | 2013-09-18 | Release date: | 2014-11-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.995 Å) | Cite: | Identification of protein kinase CK2 inhibitors using solvent dipole ordering virtual screening To be Published
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3QFG
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![BU of 3qfg by Molmil](/molmil-images/mine/3qfg) | Structure of a putative lipoprotein from Staphylococcus aureus subsp. aureus NCTC 8325 | Descriptor: | Uncharacterized protein | Authors: | Filippova, E.V, Halavaty, A, Shuvalova, L, Minasov, G, Dubrovska, I, Winsor, J, Kiryukhina, O, Papazisi, L, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-01-21 | Release date: | 2011-02-02 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | Structure of a putative lipoprotein from Staphylococcus aureus subsp. aureus NCTC 8325 To be Published
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3WRG
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![BU of 3wrg by Molmil](/molmil-images/mine/3wrg) | The complex structure of HypBA1 with L-arabinose | Descriptor: | Non-reducing end beta-L-arabinofuranosidase, ZINC ION, beta-L-arabinofuranose | Authors: | Huang, C.H, Zhu, Z, Cheng, Y.S, Chan, H.C, Ko, T.P, Chen, C.C, Wang, I, Ho, M.R, Hsu, S.T, Zeng, Y.F, Huang, Y.N, Liu, J.R, Guo, R.T. | Deposit date: | 2014-02-25 | Release date: | 2014-09-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structure and Catalytic Mechanism of a Glycoside Hydrolase Family-127 beta-L-Arabinofuranosidase (HypBA1) J BIOPROCESS BIOTECH, 4, 2014
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3QHF
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3QN8
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![BU of 3qn8 by Molmil](/molmil-images/mine/3qn8) | HIV-1 protease (mutant Q7K L33I L63I) in complex with a novel inhibitor | Descriptor: | (4aS,7aS)-1,4-bis(3-hydroxybenzyl)hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione, CHLORIDE ION, Protease | Authors: | Lindemann, I, Heine, A, Klebe, G. | Deposit date: | 2011-02-08 | Release date: | 2012-02-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.382 Å) | Cite: | Novel inhibitors for HIV-1 protease To be Published
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3WGN
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![BU of 3wgn by Molmil](/molmil-images/mine/3wgn) | STAPHYLOCOCCUS AUREUS FTSZ bound with GTP-gamma-S | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Cell division protein FtsZ | Authors: | Matsui, T, Mogi, N, Tanaka, I, Yao, M. | Deposit date: | 2013-08-06 | Release date: | 2013-12-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.606 Å) | Cite: | Structural change in FtsZ Induced by intermolecular interactions between bound GTP and the T7 loop J.Biol.Chem., 289, 2014
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3WH0
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![BU of 3wh0 by Molmil](/molmil-images/mine/3wh0) | Structure of Pin1 Complex with 18-crown-6 | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | Authors: | Lee, C.C, Liu, C.I, Jeng, W.Y, Wang, A.H.J. | Deposit date: | 2013-08-20 | Release date: | 2014-10-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crowning proteins: modulating the protein surface properties using crown ethers. Angew.Chem.Int.Ed.Engl., 53, 2014
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3QJC
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3WEG
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![BU of 3weg by Molmil](/molmil-images/mine/3weg) | Crystal structure of the human squalene synthase in complex with farnesyl thiopyrophosphate and magnesium ion | Descriptor: | MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, Squalene synthase | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H.J. | Deposit date: | 2013-07-07 | Release date: | 2014-02-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural insights into the catalytic mechanism of human squalene synthase. Acta Crystallogr.,Sect.D, 70, 2014
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