4D0F
 
 | | Human Notch1 EGF domains 11-13 mutant T466A | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1 | | Authors: | Taylor, P, Takeuchi, H, Sheppard, D, Chillakuri, C, Lea, S.M, Haltiwanger, R.S, Handford, P.A. | | Deposit date: | 2014-04-25 | | Release date: | 2014-05-21 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Fringe-Mediated Extension of O-Linked Fucose in the Ligand-Binding Region of Notch1 Increases Binding to Mammalian Notch Ligands.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4CNP
 | | Structure of the Salmonella typhi type I dehydroquinase inhibited by a 3-epiquinic acid derivative | | Descriptor: | (2S)-2-HYDROXY-3-EPIQUINIC ACID, 3-DEHYDROQUINATE DEHYDRATASE, CHLORIDE ION, ... | | Authors: | Otero, J.M, Llamas-Saiz, A.L, Maneiro, M, Peon, A, Lence, E, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2014-01-23 | | Release date: | 2015-02-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Mechanistic Insight Into the Reaction Catalyzed by Type I Dehydroquinase
To be Published
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4D7T
 | | Structure of the SthK Carboxy-Terminal Region in complex with cAMP | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, STHK_CNBD_CAMP | | Authors: | Kesters, D, Brams, M, Nys, M, Wijckmans, E, Spurny, R, Voets, T, Tytgat, J, Ulens, C. | | Deposit date: | 2014-11-27 | | Release date: | 2015-02-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.582 Å) | | Cite: | Structure of the SthK Carboxy-Terminal Region Reveals a Gating Mechanism for Cyclic Nucleotide-Modulated Ion Channels.
Plos One, 10, 2015
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4CSV
 | | Tyrosine kinase AS - a common ancestor of Src and Abl bound to Gleevec | | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, SRC-ABL TYROSINE KINASE ANCESTOR | | Authors: | Kutter, S, Wilson, C, Cruz, L, Agafonov, R.V, Hoemberger, M.S, Zorba, A, Kern, D. | | Deposit date: | 2014-03-10 | | Release date: | 2015-03-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Kinase Dynamics. Using Ancient Protein Kinases to Unravel a Modern Cancer Drug'S Mechanism.
Science, 347, 2015
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4CV3
 | | Crystal structure of E. coli FabI in complex with NADH and PT166 | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-hexyl-1-methyl-5-(2-methylphenoxy)pyridin-4(1H)-one, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH] | | Authors: | Eltschkner, S, Schiebel, J, Chang, A, Shah, S, Tonge, P.J, Kisker, C. | | Deposit date: | 2014-03-22 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor.
J.Biol.Chem., 289, 2014
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4CKY
 | | Structure of the Mycobacterium tuberculosis Type II Dehydroquinase inhibited by a 3-dehydroquinic acid derivative | | Descriptor: | 2,2-dimethyl-3-dehydroquinic acid, 3-DEHYDROQUINATE DEHYDRATASE, SODIUM ION, ... | | Authors: | Otero, J.M, Llamas-Saiz, A.L, Maneiro, M, Peon, A, Sedes, A, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2014-01-10 | | Release date: | 2015-03-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase
To be Published
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4D41
 | | Crystal structure of S. aureus FabI in complex with NADP and 5-hexyl- 2-(4-nitrophenoxy)phenol | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 5-HEXYL-2-(4-NITROPHENOXY)PHENOL, ... | | Authors: | Schiebel, J, Chang, A, Tonge, P.J, Sotriffer, C.A, Kisker, C. | | Deposit date: | 2014-10-26 | | Release date: | 2015-03-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | An Ordered Water Channel in Staphylococcus Aureus Fabi: Unraveling the Mechanism of Substrate Recognition and Reduction.
Biochemistry, 54, 2015
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4CLL
 | | Crystal structure of human soluble Adenylyl Cyclase in complex with bicarbonate | | Descriptor: | 1,2-ETHANEDIOL, ADENYLATE CYCLASE TYPE 10, BICARBONATE ION, ... | | Authors: | Kleinboelting, S, Weyand, M, Steegborn, C. | | Deposit date: | 2014-01-15 | | Release date: | 2014-03-05 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of its Activation Through Bicarbonate.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4CLU
 | | Crystal structure of human soluble Adenylyl Cyclase with pyrophosphate | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ADENYLATE CYCLASE TYPE 10, ... | | Authors: | Kleinboelting, S, Weyand, M, Steegborn, C. | | Deposit date: | 2014-01-15 | | Release date: | 2014-03-05 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of its Activation Through Bicarbonate.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4CN9
 | | structure of proximal thread matrix protein 1 (PTMP1) from the mussel byssus with zinc occupied MIDAS motif | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, PROXIMAL THREAD MATRIX PROTEIN 1, ... | | Authors: | Gertz, M, Suhre, M.H, Scheibel, T, Steegborn, C. | | Deposit date: | 2014-01-21 | | Release date: | 2014-03-12 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and Functional Features of a Collagen-Binding Matrix Protein from the Mussel Byssus.
Nat.Commun., 5, 2014
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4CQB
 | | The reaction mechanism of the N-isopropylammelide isopropylaminohydrolase AtzC: insights from structural and mutagenesis studies | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, MALONATE ION, ... | | Authors: | Balotra, S, Newman, J, French, N.G, Peat, T.S, Scott, C. | | Deposit date: | 2014-02-13 | | Release date: | 2015-03-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | X-Ray Structure and Mutagenesis Studies of the N-Isopropylammelide Isopropylaminohydrolase, Atzc
Plos One, 1, 2015
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4CXI
 | | BTB domain of KEAP1 | | Descriptor: | KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | | Authors: | Cleasby, A, Yon, J, Day, P.J, Richardson, C, Tickle, I.J, Williams, P.A, Callahan, J.F, Carr, R, Concha, N, Kerns, J.K, Qi, H, Sweitzer, T, Ward, P, Davies, T.G. | | Deposit date: | 2014-04-07 | | Release date: | 2014-06-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of the Btb Domain of Keap1 and its Interaction with the Triterpenoid Antagonist Cddo.
Plos One, 9, 2014
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4D0W
 | | Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors | | Descriptor: | 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK2 | | Authors: | Bertrand, J, Canevari, G, Fasolini, M, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D. | | Deposit date: | 2014-04-30 | | Release date: | 2014-07-23 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors.
Bioorg.Med.Chem., 22, 2014
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4D5S
 | | Structure of A49 from Vaccinia Virus Western Reserve | | Descriptor: | A49R | | Authors: | Neidel, S, Maluquer de Motes, C, Mansur, D.S, Strnadova, P, Smith, G.L, Graham, S.C. | | Deposit date: | 2014-11-07 | | Release date: | 2015-01-21 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Vaccinia Virus Protein A49 is an Unexpected Member of the B-Cell Lymphoma (Bcl)-2 Protein Family
J.Biol.Chem., 290, 2015
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4CKZ
 | | Structure of the Mycobacterium tuberculosis Type II Dehydroquinase D88N mutant | | Descriptor: | 3-DEHYDROQUINATE DEHYDRATASE | | Authors: | Otero, J.M, Llamas-Saiz, A.L, Maneiro, M, Peon, A, Sedes, A, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2014-01-10 | | Release date: | 2015-03-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase
To be Published
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4CMQ
 | | Crystal structure of Mn-bound S.pyogenes Cas9 | | Descriptor: | CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1, MANGANESE (II) ION, SULFATE ION | | Authors: | Jinek, M, Jiang, F, Taylor, D.W, Sternberg, S.H, Kaya, E, Ma, E, Anders, C, Hauer, M, Zhou, K, Lin, S, Kaplan, M, Iavarone, A.T, Charpentier, E, Nogales, E, Doudna, J.A. | | Deposit date: | 2014-01-17 | | Release date: | 2014-02-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | Structures of Cas9 Endonucleases Reveal RNA- Mediated Conformational Activation
Science, 343, 2014
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4CYE
 | | Crystal structure of avian FAK FERM domain FAK31-405 at 3.2A | | Descriptor: | FOCAL ADHESION KINASE 1 | | Authors: | Goni, G.M, Epifano, C, Boskovic, J, Camacho-Artacho, M, Zhou, J, Martin, M.T, Eck, M.J, Kremer, L, Graeter, F, Gervasio, F.L, Perez-Moreno, M, Lietha, D. | | Deposit date: | 2014-04-10 | | Release date: | 2014-04-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Phosphatidylinositol 4,5-Bisphosphate Triggers Activation of Focal Adhesion Kinase by Inducing Clustering and Conformational Changes.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4D03
 | | Structure of the Cys65Asp mutant of phenylacetone monooxygenase: oxidised state | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, HEXAETHYLENE GLYCOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Brondani, P.B, Dudek, H.M, Martinoli, C, Mattevi, A, Fraaije, M.W. | | Deposit date: | 2014-04-24 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Finding the Switch: Turning a Baeyer-Villiger Monooxygenase Into a Nadph Oxidase.
J.Am.Chem.Soc., 136, 2014
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4CN8
 | | Structure of proximal thread matrix protein 1 (PTMP1) from the mussel byssus | | Descriptor: | 1,2-ETHANEDIOL, PROXIMAL THREAD MATRIX PROTEIN 1, SULFATE ION | | Authors: | Gertz, M, Suhre, M.H, Scheibel, T, Steegborn, C. | | Deposit date: | 2014-01-21 | | Release date: | 2014-03-12 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural and Functional Features of a Collagen-Binding Matrix Protein from the Mussel Byssus.
Nat.Commun., 5, 2014
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4D7S
 | | Structure of the SthK Carboxy-Terminal Region in complex with cGMP | | Descriptor: | CYCLIC GUANOSINE MONOPHOSPHATE, STHK_CNBD_CGMP | | Authors: | Kesters, D, Brams, M, Nys, M, Wijckmans, E, Spurny, R, Voets, T, Tytgat, J, Ulens, C. | | Deposit date: | 2014-11-27 | | Release date: | 2015-02-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure of the SthK Carboxy-Terminal Region Reveals a Gating Mechanism for Cyclic Nucleotide-Modulated Ion Channels.
Plos One, 10, 2015
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4CLY
 | | Crystal structure of human soluble Adenylyl Cyclase soaked with biselenite | | Descriptor: | 1,2-ETHANEDIOL, ADENYLATE CYCLASE TYPE 10, BISELENITE ION, ... | | Authors: | Kleinboelting, S, Weyand, M, Steegborn, C. | | Deposit date: | 2014-01-15 | | Release date: | 2014-03-05 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of its Activation Through Bicarbonate.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4CP8
 | | Structure of the amidase domain of allophanate hydrolase from Pseudomonas sp strain ADP | | Descriptor: | ALLOPHANATE HYDROLASE, MALONATE ION | | Authors: | Balotra, S, Newman, J, French, N, French, L, Peat, T.S, Scott, C. | | Deposit date: | 2014-02-03 | | Release date: | 2014-11-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | X-Ray Structure of the Amidase Domain of Atzf, the Allophanate Hydrolase from the Cyanuric Acid-Mineralizing Multienzyme Complex.
Appl.Environ.Microbiol., 81, 2015
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4CQD
 | | The reaction mechanism of the N-isopropylammelide isopropylaminohydrolase AtzC: insights from structural and mutagenesis studies | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MALONATE ION, ... | | Authors: | Balotra, S, Newman, J, French, N.G, Peat, T.S, Scott, C. | | Deposit date: | 2014-02-13 | | Release date: | 2015-03-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | X-Ray Structure and Mutagenesis Studies of the N-Isopropylammelide Isopropylaminohydrolase, Atzc
Plos One, 1, 2015
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4CMF
 | | The (R)-selective transaminase from Nectria haematococca with inhibitor bound | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZOIC ACID, AMINOTRANSFERASE, ... | | Authors: | Sayer, C, Isupov, M, Martinez-Torres, R.J, Richter, N, Hailes, H.C, Ward, J, Littlechild, J. | | Deposit date: | 2014-01-16 | | Release date: | 2014-03-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Substrate Specificity, Enantioselectivity and Structure of the (R)-Selective Amine:Pyruvate Transaminase from Nectria Haematococca.
FEBS J., 281, 2014
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4CV0
 | | Crystal structure of S. aureus FabI in complex with NADPH and CG400549 (small unit cell) | | Descriptor: | 1,2-ETHANEDIOL, 1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1H)-one, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], ... | | Authors: | Schiebel, J, Chang, A, Shah, S, Tonge, P.J, Kisker, C. | | Deposit date: | 2014-03-22 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor.
J.Biol.Chem., 289, 2014
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