4L2M
 
 | | Crystal structure of the 2/2 hemoglobin from Synechococcus sp. PCC 7002 in the cyanomet state and with covalently attached heme | | Descriptor: | CYANIDE ION, Cyanoglobin, HEME B/C, ... | | Authors: | Wenke, B.B, Schlessman, J.L, Heroux, A, Lecomte, J.T.J. | | Deposit date: | 2013-06-04 | | Release date: | 2013-06-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The 2/2 hemoglobin from the cyanobacterium Synechococcus sp. PCC 7002 with covalently attached heme: Comparison of X-ray and NMR structures.
Proteins, 82, 2014
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4KW2
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4L42
 | | Crystal structures of human p70S6K1-PIF | | Descriptor: | 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein, SULFATE ION, ... | | Authors: | Wang, J, Zhong, C, Ding, J. | | Deposit date: | 2013-06-07 | | Release date: | 2013-07-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif
Biochem.J., 454, 2013
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4L7Z
 | | Crystal Structure of Chloroflexus aurantiacus malyl-CoA lyase | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HpcH/HpaI aldolase | | Authors: | Zarzycki, J, Kerfeld, C.A. | | Deposit date: | 2013-06-14 | | Release date: | 2013-12-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | The crystal structures of the tri-functional Chloroflexus aurantiacus and bi-functional Rhodobacter sphaeroides malyl-CoA lyases and comparison with CitE-like superfamily enzymes and malate synthases.
Bmc Struct.Biol., 13, 2013
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4KVA
 | | GTPase domain of Septin 10 from Schistosoma mansoni in complex with GTP | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Septin | | Authors: | Zeraik, A.E, Pereira, H.M, Santos, Y.V, Brandao-Neto, J, Garratt, R.C, Araujo, A.P.U, Demarco, R. | | Deposit date: | 2013-05-22 | | Release date: | 2014-02-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Crystal Structure of a Schistosoma mansoni Septin Reveals the Phenomenon of Strand Slippage in Septins Dependent on the Nature of the Bound Nucleotide.
J.Biol.Chem., 289, 2014
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4KWP
 | | Crystal Structure of Human CK2-alpha in complex with a benzimidazole inhibitor (K164) at 1.25 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 4,5,6,7-tetrabromo-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1H-benzimidazole, Casein kinase II subunit alpha, ... | | Authors: | Ranchio, A, Lolli, G, Battistutta, R. | | Deposit date: | 2013-05-24 | | Release date: | 2014-04-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Cell-permeable dual inhibitors of protein kinases CK2 and PIM-1: structural features and pharmacological potential.
Cell.Mol.Life Sci., 71, 2014
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4KX3
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4KZ0
 | | Structure of PI3K gamma with Imidazopyridine inhibitors | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, methyl 2-(acetylamino)-1,3-benzothiazole-6-carboxylate | | Authors: | Knapp, M.S, Elling, R.A. | | Deposit date: | 2013-05-29 | | Release date: | 2013-07-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Structure guided optimization of a fragment hit to imidazopyridine inhibitors of PI3K.
Bioorg.Med.Chem.Lett., 23, 2013
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4M9L
 | | DNA Polymerase Beta E295K Soaked with dCTP | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA Downstream Strand, DNA Primer Strand, ... | | Authors: | Eckenroth, B.E, Doublie, S. | | Deposit date: | 2013-08-14 | | Release date: | 2013-10-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.091 Å) | | Cite: | The E295K Cancer Variant of Human Polymerase beta Favors the Mismatch Conformational Pathway during Nucleotide Selection.
J.Biol.Chem., 288, 2013
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4MA1
 | | Unliganded 3 crystal structure of S25-26 Fab | | Descriptor: | DI(HYDROXYETHYL)ETHER, POTASSIUM ION, S25-26 Fab (IgG1k) heavy chain, ... | | Authors: | Haji-Ghassemi, O, Evans, S.V. | | Deposit date: | 2013-08-15 | | Release date: | 2014-04-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Groove-type Recognition of Chlamydiaceae-specific Lipopolysaccharide Antigen by a Family of Antibodies Possessing an Unusual Variable Heavy Chain N-Linked Glycan.
J.Biol.Chem., 289, 2014
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4MAD
 | | Crystal structure of beta-galactosidase C (BgaC) from Bacillus circulans ATCC 31382 | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, Beta-galactosidase | | Authors: | Kamerke, C, You, D.J, Kanaya, S, Elling, L. | | Deposit date: | 2013-08-16 | | Release date: | 2014-08-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Rational design of a glycosynthase by the crystal structure of beta-galactosidase from Bacillus circulans (BgaC) and its use for the synthesis of N-acetyllactosamine type 1 glycan structures.
J.Biotechnol., 191, 2014
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4MFU
 | | Crystal structure of human CTNNBL1(residues 77~563) | | Descriptor: | Beta-catenin-like protein 1 | | Authors: | Ahn, J.W, Kim, S, Kim, K.J. | | Deposit date: | 2013-08-28 | | Release date: | 2014-03-12 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.744 Å) | | Cite: | Structural insights into the novel ARM-repeat protein CTNNBL1 and its association with the hPrp19-CDC5L complex
Acta Crystallogr.,Sect.D, 70, 2014
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4MGX
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4LQ1
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4LRW
 | | Crystal Structure of K-Ras G12C (cysteine-light), GDP-bound | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | | Deposit date: | 2013-07-21 | | Release date: | 2013-11-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.151 Å) | | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
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4LSS
 | | Crystal structure of broadly and potently neutralizing antibody VRC01 in complex with HIV-1 clade A strain KER_2018_11 gp120 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEAVY CHAIN OF ANTIBODY VRC01, ... | | Authors: | Zhou, T, Moquin, S, Kwong, P.D. | | Deposit date: | 2013-07-23 | | Release date: | 2013-08-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013
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4LVH
 | | Insight into highly conserved H1 subtype-specific epitopes in influenza virus hemagglutinin | | Descriptor: | CALCIUM ION, Hemagglutinin, MONOCLONAL ANTIBODY H-CHAIN, ... | | Authors: | Kim, K.H, Cho, K.J, Kim, S, Seok, J.H, Lee, J.-H. | | Deposit date: | 2013-07-26 | | Release date: | 2014-04-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Insight into highly conserved h1 subtype-specific epitopes in influenza virus hemagglutinin
Plos One, 9, 2014
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4M1J
 | | Crystal structure of Pseudomonas aeruginosa PvdQ in complex with a transition state analogue | | Descriptor: | Acyl-homoserine lactone acylase PvdQ subunit alpha, Acyl-homoserine lactone acylase PvdQ subunit beta, GLYCEROL, ... | | Authors: | Wu, R, Clevenger, K, Er, J, Fast, W.L, Liu, D. | | Deposit date: | 2013-08-02 | | Release date: | 2013-08-28 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Rational Design of a Transition State Analogue with Picomolar Affinity for Pseudomonas aeruginosa PvdQ, a Siderophore Biosynthetic Enzyme.
Acs Chem.Biol., 8, 2013
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4M1S
 | | Crystal Structure of small molecule vinylsulfonamide 13 covalently bound to K-Ras G12C | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, N-{1-[N-(2,4-dichlorophenyl)glycyl]piperidin-4-yl}ethanesulfonamide | | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | | Deposit date: | 2013-08-04 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.552 Å) | | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
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4MDL
 | | Meta Carborane Carbonic Anhydrase Inhibitor | | Descriptor: | 1-(sulfamoylamino)methyl-1,7-dicarba-closo-dodecaborane, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... | | Authors: | Brynda, J, Mader, P, Rezacova, P, Cigler, P. | | Deposit date: | 2013-08-23 | | Release date: | 2014-01-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.516 Å) | | Cite: | Carborane-based carbonic anhydrase inhibitors.
Angew.Chem.Int.Ed.Engl., 52, 2013
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4M7X
 | | Staphylococcus aureus Type II pantothenate kinase in complex with a pantothenate analog | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N-heptyl-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | | Authors: | Mottaghi, K, Hong, B, Tempel, W, Park, H. | | Deposit date: | 2013-08-12 | | Release date: | 2014-09-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Discovery of Potent Pantothenamide Inhibitors of Staphylococcus aureus Pantothenate Kinase through a Minimal SAR Study: Inhibition Is Due to Trapping of the Product.
ACS Infect Dis, 2, 2016
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4LYE
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4M0K
 | | Crystal structure of adenine phosphoribosyltransferase from Rhodothermus marinus DSM 4252, NYSGRC Target 029775. | | Descriptor: | ADENOSINE MONOPHOSPHATE, Adenine phosphoribosyltransferase, CALCIUM 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, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-08-01 | | Release date: | 2013-08-14 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of adenine phosphoribosyltransferase from Rhodothermus marinus DSM 4252, NYSGRC Target 029775.
To be Published
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4M17
 | | Crystal Structure of Surfactant Protein-D D325A/R343V mutant | | Descriptor: | CALCIUM ION, Pulmonary surfactant-associated protein D | | Authors: | Goh, B.C, Rynkiewicz, M.J, Cafarella, T.R, White, M.R, Hartshorn, K.L, Allen, K, Crouch, E.C, Calin, O, Seeberger, P.H, Schulten, K, Seaton, B.A. | | Deposit date: | 2013-08-02 | | Release date: | 2013-12-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.096 Å) | | Cite: | Molecular mechanisms of inhibition of influenza by surfactant protein d revealed by large-scale molecular dynamics simulation.
Biochemistry, 52, 2013
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4M93
 | | Unliganded 2 crystal structure of S25-26 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | | Authors: | Haji-Ghassemi, O, Evans, S.V. | | Deposit date: | 2013-08-14 | | Release date: | 2014-04-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Groove-type Recognition of Chlamydiaceae-specific Lipopolysaccharide Antigen by a Family of Antibodies Possessing an Unusual Variable Heavy Chain N-Linked Glycan.
J.Biol.Chem., 289, 2014
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