3SS0
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3SSH
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4H31
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![BU of 4h31 by Molmil](/molmil-images/mine/4h31) | Crystal structure of anabolic ornithine carbamoyltransferase from Vibrio vulnificus in complex with carbamoyl phosphate and L-norvaline | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Shabalin, I.G, Winsor, J, Grimshaw, S, Osinski, T, Chordia, M.D, Shuvalova, L, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-09-13 | Release date: | 2012-09-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural studies of ornithine carbamoyltransferase from various pathogens To be Published
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4HA8
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![BU of 4ha8 by Molmil](/molmil-images/mine/4ha8) | Structure of Staphylococcus aureus biotin protein ligase in complex with biotin acetylene | Descriptor: | (3aS,4S,6aR)-4-(hex-5-yn-1-yl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one, Biotin-[acetyl-CoA-carboxylase] ligase | Authors: | Yap, M, Wilce, M, Polyak, S, Soares da Costa, T, Tieu, W. | Deposit date: | 2012-09-25 | Release date: | 2013-10-30 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure of Staphylococcus aureus biotin protein ligase in complex with biotin acetylene To be Published
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3SZO
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![BU of 3szo by Molmil](/molmil-images/mine/3szo) | IspH:HMBPP complex after 3 minutes X-ray pre-exposure | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | Authors: | Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M. | Deposit date: | 2011-07-19 | Release date: | 2011-11-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis. J.Mol.Biol., 416, 2012
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3SZL
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![BU of 3szl by Molmil](/molmil-images/mine/3szl) | IspH:Ligand Mutants - wt 70sec | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | Authors: | Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M. | Deposit date: | 2011-07-19 | Release date: | 2011-11-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis. J.Mol.Biol., 416, 2012
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4GTQ
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![BU of 4gtq by Molmil](/molmil-images/mine/4gtq) | FTase in complex with BMS analogue 12 | Descriptor: | 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate, FARNESYL DIPHOSPHATE, Protein farnesyltransferase subunit beta, ... | Authors: | Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S. | Deposit date: | 2012-08-29 | Release date: | 2012-10-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Development of Selective, Potent RabGGTase Inhibitors J.Med.Chem., 55, 2012
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4GWB
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![BU of 4gwb by Molmil](/molmil-images/mine/4gwb) | Crystal structure of putative Peptide methionine sulfoxide reductase from Sinorhizobium meliloti 1021 | Descriptor: | CALCIUM ION, CHLORIDE ION, Peptide methionine sulfoxide reductase MsrA 3 | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-09-01 | Release date: | 2012-09-19 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure of putative Peptide methionine sulfoxide reductase from Sinorhizobium meliloti 1021 To be Published
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4KRZ
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![BU of 4krz by Molmil](/molmil-images/mine/4krz) | Apo crystal structure of pyruvate kinase (PYK) from Trypanosoma cruzi | Descriptor: | GLYCEROL, POTASSIUM ION, Pyruvate kinase | Authors: | Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | Deposit date: | 2013-05-17 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of pyruvate kinases display evolutionarily divergent allosteric strategies. R Soc Open Sci, 1, 2014
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3T4D
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![BU of 3t4d by Molmil](/molmil-images/mine/3t4d) | Crystal Structure of NaK2K Channel Y55F Mutant | Descriptor: | POTASSIUM ION, Potassium channel protein | Authors: | Sauer, D.B, Zeng, W, Raghunathan, S, Jiang, Y. | Deposit date: | 2011-07-25 | Release date: | 2011-10-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Protein interactions central to stabilizing the K+ channel selectivity filter in a four-sited configuration for selective K+ permeation. Proc.Natl.Acad.Sci.USA, 108, 2011
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4K66
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![BU of 4k66 by Molmil](/molmil-images/mine/4k66) | Structure of an airborne transmissible avian influenza H5 hemagglutinin mutant from the influenza virus A/Indonesia/5/2005 complexed with avian receptor analog LSTa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose | Authors: | Zhang, W, Shi, Y, Lu, X, Shu, Y, Qi, J, Gao, G.F. | Deposit date: | 2013-04-15 | Release date: | 2013-05-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.005 Å) | Cite: | An airborne transmissible avian influenza H5 hemagglutinin seen at the atomic level. Science, 340, 2013
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3TC5
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![BU of 3tc5 by Molmil](/molmil-images/mine/3tc5) | Selective targeting of disease-relevant protein binding domains by O-phosphorylated natural product derivatives | Descriptor: | (11alpha,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate, HEXAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Graeber, M, Janczyk, W, Sperl, B, Elumalai, N, Kozany, C, Hausch, F, Holak, T.A, Berg, T. | Deposit date: | 2011-08-08 | Release date: | 2011-08-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Selective targeting of disease-relevant protein binding domains by o-phosphorylated natural product derivatives. Acs Chem.Biol., 6, 2011
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4KOT
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![BU of 4kot by Molmil](/molmil-images/mine/4kot) | Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with Cefotaxime | Descriptor: | (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, 1,2-ETHANEDIOL, SULFATE ION, ... | Authors: | Majorek, K.A, Chruszcz, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-05-12 | Release date: | 2013-06-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural, Functional, and Inhibition Studies of a Gcn5-related N-Acetyltransferase (GNAT) Superfamily Protein PA4794: A NEW C-TERMINAL LYSINE PROTEIN ACETYLTRANSFERASE FROM PSEUDOMONAS AERUGINOSA. J.Biol.Chem., 288, 2013
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4KOX
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![BU of 4kox by Molmil](/molmil-images/mine/4kox) | Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with Cefalotin | Descriptor: | 1,2-ETHANEDIOL, CEPHALOTHIN, SULFATE ION, ... | Authors: | Majorek, K.A, Chruszcz, M, Zimmerman, M.D, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-05-12 | Release date: | 2013-06-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural, Functional, and Inhibition Studies of a Gcn5-related N-Acetyltransferase (GNAT) Superfamily Protein PA4794: A NEW C-TERMINAL LYSINE PROTEIN ACETYLTRANSFERASE FROM PSEUDOMONAS AERUGINOSA. J.Biol.Chem., 288, 2013
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3THW
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![BU of 3thw by Molmil](/molmil-images/mine/3thw) | Human MutSbeta complexed with an IDL of 4 bases (Loop4) and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA Loop4 hairpin, DNA mismatch repair protein Msh2, ... | Authors: | Yang, W. | Deposit date: | 2011-08-19 | Release date: | 2011-12-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Mechanism of mismatch recognition revealed by human MutSbeta bound to unpaired DNA loops Nat.Struct.Mol.Biol., 19, 2012
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3ST0
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![BU of 3st0 by Molmil](/molmil-images/mine/3st0) | Engineered medium-affinity halide-binding protein derived from YFP: halide-free | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, Green fluorescent protein | Authors: | Wang, W, Grimley, J.S, Beese, L.S, Hellinga, H.W. | Deposit date: | 2011-07-08 | Release date: | 2012-07-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Visualization of Synaptic Inhibition with an Optogenetic Sensor Developed by Cell-Free Protein Engineering Automation. J.Neurosci., 33, 2013
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4K48
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![BU of 4k48 by Molmil](/molmil-images/mine/4k48) | Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain | Descriptor: | Leucine--tRNA ligase | Authors: | Hu, Q.H, Liu, R.J, Fang, Z.P, Zhang, J, Ding, Y.Y, Tan, M, Wang, M, Pan, W, Zhou, H.C, Wang, E.D. | Deposit date: | 2013-04-12 | Release date: | 2013-09-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Discovery of a potent benzoxaborole-based anti-pneumococcal agent targeting leucyl-tRNA synthetase Sci Rep, 3, 2013
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4K6N
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![BU of 4k6n by Molmil](/molmil-images/mine/4k6n) | Crystal structure of yeast 4-amino-4-deoxychorismate lyase | Descriptor: | Aminodeoxychorismate lyase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Dai, Y.-N, Chi, C.-B, Zhou, K, Cheng, W, Jiang, Y.-L, Ren, Y.-M, Chen, Y, Zhou, C.-Z. | Deposit date: | 2013-04-16 | Release date: | 2013-07-10 | Last modified: | 2013-10-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and catalytic mechanism of yeast 4-amino-4-deoxychorismate lyase J.Biol.Chem., 288, 2013
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3U7X
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![BU of 3u7x by Molmil](/molmil-images/mine/3u7x) | 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
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4KCW
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![BU of 4kcw by Molmil](/molmil-images/mine/4kcw) | Pyruvate kinase (PYK) from Trypanosoma brucei soaked with oxalate | Descriptor: | 2,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ... | Authors: | Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | Deposit date: | 2013-04-24 | Release date: | 2014-01-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Pyruvate kinases have an intrinsic and conserved decarboxylase activity. Biochem.J., 458, 2014
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3U1L
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![BU of 3u1l by Molmil](/molmil-images/mine/3u1l) | Structure of the mRNA splicing complex component Cwc2 | Descriptor: | Pre-mRNA-splicing factor CWC2, ZINC ION | Authors: | Lu, P, Lu, G, Yan, C, Wang, L, Li, W, Yin, P. | Deposit date: | 2011-09-30 | Release date: | 2011-11-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Structure of the mRNA splicing complex component Cwc2: insights into RNA recognition Biochem.J., 441, 2012
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4KDN
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![BU of 4kdn by Molmil](/molmil-images/mine/4kdn) | Crystal structure of the hemagglutinin of ferret-transmissible H5N1 virus in complex with avian receptor analog LSTa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | Authors: | Lu, X, Shi, Y, Zhang, W, Zhang, Y, Qi, J, Gao, G.F. | Deposit date: | 2013-04-25 | Release date: | 2013-07-24 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.483 Å) | Cite: | Structure and receptor-binding properties of an airborne transmissible avian influenza A virus hemagglutinin H5 (VN1203mut). Protein Cell, 4, 2013
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4KG8
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![BU of 4kg8 by Molmil](/molmil-images/mine/4kg8) | Crystal structure of light mutant | Descriptor: | Tumor necrosis factor ligand superfamily member 14 | Authors: | Liu, W, Zhan, C, Kumar, P.R, Bonanno, J.B, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2013-04-28 | Release date: | 2013-08-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Mechanistic basis for functional promiscuity in the TNF and TNF receptor superfamilies: structure of the LIGHT:DcR3 assembly. Structure, 22, 2014
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4KGZ
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![BU of 4kgz by Molmil](/molmil-images/mine/4kgz) | The R state structure of E. coli ATCase with UTP and Magnesium bound | Descriptor: | Aspartate carbamoyltransferase, Aspartate carbamoyltransferase regulatory chain, MAGNESIUM ION, ... | Authors: | Cockrell, G.M, Zheng, Y, Guo, W, Peterson, A.W, Kantrowitz, E.R. | Deposit date: | 2013-04-29 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | New Paradigm for Allosteric Regulation of Escherichia coli Aspartate Transcarbamoylase. Biochemistry, 52, 2013
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4KQZ
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![BU of 4kqz by Molmil](/molmil-images/mine/4kqz) | structure of the receptor binding domain (RBD) of MERS-CoV spike | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S protein | Authors: | Lu, G, Hu, Y, Wang, Q, Qi, J, Gao, F, Li, Y, Zhang, Y, Zhang, W, Yuan, Y, Bao, J, Zhang, B, Shi, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-05-15 | Release date: | 2013-07-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.514 Å) | Cite: | Molecular basis of binding between novel human coronavirus MERS-CoV and its receptor CD26. Nature, 500, 2013
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