4N9D
 
 | | Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | | Descriptor: | 1,2-ETHANEDIOL, 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X. | | Deposit date: | 2013-10-20 | | Release date: | 2014-02-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
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4E4G
 | | Crystal structure of putative Methylmalonate-semialdehyde dehydrogenase from Sinorhizobium meliloti 1021 | | Descriptor: | Methylmalonate-semialdehyde dehydrogenase | | 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: | 2012-03-12 | | Release date: | 2012-03-28 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of putative Methylmalonate-semialdehyde dehydrogenase from Sinorhizobium meliloti 1021
To be Published
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4NA5
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4E6M
 | | Crystal structure of Putative dehydratase protein from Salmonella enterica subsp. enterica serovar Typhimurium (Salmonella typhimurium) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, ... | | 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: | 2012-03-15 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of Putative dehydratase protein from Salmonella enterica subsp. enterica serovar Typhimurium (Salmonella typhimurium)
To be Published
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4IQG
 | | Crystal structure of BPRO0239 oxidoreductase from Polaromonas sp. JS666 in NADP bound form | | Descriptor: | DI(HYDROXYETHYL)ETHER, FORMIC ACID, GLYCEROL, ... | | Authors: | Niedzialkowska, E, Majorek, K.A, Porebski, P.J, Al Obaidi, N, Hammonds, J, Hillerich, B, Seidel, R, Bonanno, J.B, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-01-11 | | Release date: | 2013-01-30 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of oxidoreductase from Polaromonas sp. in NADP bound form
To be Published
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4EA3
 | | Structure of the N/OFQ Opioid Receptor in Complex with a Peptide Mimetic | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-benzyl-N-[3-(1'H,3H-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)propyl]-D-prolinamide, ... | | Authors: | Thompson, A.A, Liu, W, Chun, E, Katritch, V, Wu, H, Vardy, E, Huang, X.P, Trapella, C, Guerrini, R, Calo, G, Roth, B.L, Cherezov, V, Stevens, R.C, GPCR Network (GPCR) | | Deposit date: | 2012-03-22 | | Release date: | 2012-04-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.013 Å) | | Cite: | Structure of the nociceptin/orphanin FQ receptor in complex with a peptide mimetic.
Nature, 485, 2012
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4MRX
 | | Crystal Structure of Y138F obelin mutant from Obelia longissima at 1.72 Angstrom resolution | | Descriptor: | C2-HYDROPEROXY-COELENTERAZINE, Obelin | | Authors: | Natashin, P.V, Ding, W, Eremeeva, E.V, Markova, S.V, Lee, J, Vysotski, E.S, Liu, Z.J. | | Deposit date: | 2013-09-17 | | Release date: | 2014-03-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.718 Å) | | Cite: | Structures of the Ca2+-regulated photoprotein obelin Y138F mutant before and after bioluminescence support the catalytic function of a water molecule in the reaction.
Acta Crystallogr.,Sect.D, 70, 2014
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4ECW
 | | Human DNA polymerase eta - DNA ternary complex: Reaction in the AT crystal at pH 7.0 for 250 sec | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ... | | Authors: | Nakamura, T, Zhao, Y, Yang, W. | | Deposit date: | 2012-03-26 | | Release date: | 2012-07-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.896 Å) | | Cite: | Watching DNA polymerase eta make a phosphodiester bond
Nature, 487, 2012
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4ECQ
 | | Human DNA polymerase eta- DNA ternary complex: AT crystal at pH6.8(K+ MES) with 1 Ca2+ ion | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*TP*A)-3'), ... | | Authors: | Nakamura, T, Zhao, Y, Yang, W. | | Deposit date: | 2012-03-26 | | Release date: | 2012-07-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Watching DNA polymerase eta make a phosphodiester bond
Nature, 487, 2012
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4ED1
 | | Human DNA polymerase eta - DNA ternary complex: AT crystal at pH 7.0 (Na+ MES) with 1 Ca2+ ion | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ... | | Authors: | Nakamura, T, Zhao, Y, Yang, W. | | Deposit date: | 2012-03-26 | | Release date: | 2012-07-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.806 Å) | | Cite: | Watching DNA polymerase eta make a phosphodiester bond
Nature, 487, 2012
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4EFE
 | | crystal structure of DNA ligase | | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase, SULFATE ION, ... | | Authors: | Wei, Y, Wang, T, Charifson, P, Xu, W. | | Deposit date: | 2012-03-29 | | Release date: | 2013-04-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | crystal structure of DNA ligase
To be Published
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4EGX
 | | Crystal structure of KIF1A CC1-FHA tandem | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Kinesin-like protein KIF1A | | Authors: | Yu, J, Huo, L, Yue, Y, Xu, T, Zhang, M, Feng, W. | | Deposit date: | 2012-04-02 | | Release date: | 2012-10-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | The CC1-FHA Tandem as a Central Hub for Controlling the Dimerization and Activation of Kinesin-3 KIF1A
Structure, 20, 2012
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4J1J
 | | Leanyer orthobunyavirus nucleoprotein-ssDNA complex | | Descriptor: | DNA (5'-D(P*AP*CP*CP*AP*AP*AP*CP*AP*AP*CP*CP*CP*AP*CP*CP*CP*A)-3'), Nucleocapsid | | Authors: | Niu, F, Shaw, N, Wang, Y, Jiao, L, Ding, W, Li, X, Zhu, P, Upur, H, Ouyang, S, Cheng, G, Liu, Z.J. | | Deposit date: | 2013-02-01 | | Release date: | 2013-04-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure of the Leanyer orthobunyavirus nucleoprotein-RNA complex reveals unique architecture for RNA encapsidation.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4EIY
 | | Crystal structure of the chimeric protein of A2aAR-BRIL in complex with ZM241385 at 1.8A resolution | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | | Authors: | Liu, W, Chun, E, Thompson, A.A, Chubukov, P, Xu, F, Katritch, V, Han, G.W, Heitman, L.H, Ijzerman, A.P, Cherezov, V, Stevens, R.C, GPCR Network (GPCR) | | Deposit date: | 2012-04-06 | | Release date: | 2012-07-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for allosteric regulation of GPCRs by sodium ions.
Science, 337, 2012
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4N14
 | | Crystal structure of Cdc20 and apcin complex | | Descriptor: | 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl [(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamate, Cell division cycle protein 20 homolog | | Authors: | Luo, X, Tian, W, Yu, H. | | Deposit date: | 2013-10-03 | | Release date: | 2014-08-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Synergistic blockade of mitotic exit by two chemical inhibitors of the APC/C.
Nature, 514, 2014
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4EJQ
 | | Crystal structure of KIF1A C-CC1-FHA | | Descriptor: | Kinesin-like protein KIF1A | | Authors: | Huo, L, Yue, Y, Ren, J, Yu, J, Liu, J, Yu, Y, Ye, F, Xu, T, Zhang, M, Feng, W. | | Deposit date: | 2012-04-06 | | Release date: | 2012-10-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.893 Å) | | Cite: | The CC1-FHA Tandem as a Central Hub for Controlling the Dimerization and Activation of Kinesin-3 KIF1A
Structure, 20, 2012
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4N3B
 | | Crystal Structure of human O-GlcNAc Transferase bound to a peptide from HCF-1 pro-repeat2(1-26)E10Q and UDP-5SGlcNAc | | Descriptor: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, Host cell factor 1, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | | Authors: | Lazarus, M.B, Herr, W, Walker, S. | | Deposit date: | 2013-10-06 | | Release date: | 2014-01-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | HCF-1 is cleaved in the active site of O-GlcNAc transferase.
Science, 342, 2013
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4ETA
 | | Lysozyme, room temperature, 400 kGy dose | | Descriptor: | CHLORIDE ION, Lysozyme C | | Authors: | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | | Deposit date: | 2012-04-24 | | Release date: | 2012-06-13 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
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3PY8
 | | Crystal structure of a mutant of the large fragment of DNA polymerase I from thermus aquaticus in a closed ternary complex with DNA and ddCTP | | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA (5'-D(*AP*A*AP*GP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ... | | Authors: | Schnur, A, Marx, A, Welte, W, Diederichs, K. | | Deposit date: | 2010-12-12 | | Release date: | 2011-06-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Learning from Directed Evolution: Thermus aquaticus DNA Polymerase Mutants with Translesion Synthesis Activity.
Chembiochem, 12, 2011
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4IT8
 | | A sperm whale myoglobin mutant L29H Mb with two distal histidines | | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Lin, Y.-W, Tan, X.-S, Li, W, Sun, M.-H, Wen, G.-B, Liu, J.-H. | | Deposit date: | 2013-01-18 | | Release date: | 2013-04-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and nitrite reductase activity comparisons of myoglobins with one to three distal histidines.
RSC Adv, 2013
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3PZ3
 | | Crystal structure of RabGGTase(DELTA LRR; DELTA IG) in Complex with BMS-analogue 14 | | Descriptor: | 4-({(3R)-7-(5-formylfuran-2-yl)-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, CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, ... | | Authors: | Guo, Z, Bon, R.S, Stigter, E.A, Waldmann, H, Alexandrov, K, Blankenfeldt, W, Goody, R.S. | | Deposit date: | 2010-12-14 | | Release date: | 2011-05-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Guided Development of Selective RabGGTase Inhibitors.
Angew.Chem.Int.Ed.Engl., 50, 2011
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4EWC
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4IYM
 | | Crystal structure of putative methylmalonate-semialdehyde dehydrogenase from Sinorhizobium meliloti 1021 complexed with NAD, target 011934 | | Descriptor: | MAGNESIUM ION, Methylmalonate-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 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: | 2013-01-28 | | Release date: | 2013-04-03 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of putative methylmalonate-semialdehyde dehydrogenase from Sinorhizobium meliloti 1021 complexed with NAD, target 011934
To be Published
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4IX3
 | | Crystal structure of a Stt7 homolog from Micromonas algae | | Descriptor: | MAGNESIUM ION, MsStt7d protein | | Authors: | Guo, J, Wei, X, Li, M, Pan, X, Chang, W, Liu, Z. | | Deposit date: | 2013-01-24 | | Release date: | 2013-10-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure of the catalytic domain of a state transition kinase homolog from Micromonas algae
Protein Cell, 4, 2013
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4E77
 | | 2.0A Crystal Structure of a Glutamate-1-Semialdehyde Aminotransferase from Yersinia pestis CO92 | | Descriptor: | Glutamate-1-semialdehyde 2,1-aminomutase, NITRATE ION, SODIUM ION | | Authors: | Brunzelle, J.S, Wawrzak, W, Onopriyenko, O, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-03-16 | | Release date: | 2012-04-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 2.0A Crystal Structure of a Glutamate-1-Semialdehyde Aminotransferase from Yersinia pestis CO92
TO BE PUBLISHED
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