4ZXH
 
 | | Crystal Structure of holo-AB3403 a four domain nonribosomal peptide synthetase from Acinetobacter Baumanii | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 4'-PHOSPHOPANTETHEINE, ABBFA_003403, ... | | Authors: | Drake, E.J, Miller, B.R, Allen, C.L, Gulick, A.M. | | Deposit date: | 2015-05-20 | | Release date: | 2015-12-30 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structures of two distinct conformations of holo-non-ribosomal peptide synthetases.
Nature, 529, 2016
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5OL8
 | | Structure of human mitochondrial transcription elongation factor (TEFM) C-terminal domain | | Descriptor: | GLYCEROL, Transcription elongation factor, mitochondrial | | Authors: | Hillen, H.S, Parshin, A.V, Agaronyan, K, Morozov, Y, Graber, J.J, Chernev, A, Schwinghammer, K, Urlaub, H, Anikin, M, Cramer, P, Temiakov, D. | | Deposit date: | 2017-07-27 | | Release date: | 2017-10-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanism of Transcription Anti-termination in Human Mitochondria.
Cell, 171, 2017
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5O9K
 | | Crystal structure of Murine Histmaine-Releasing Factor (HRF/TCTP) | | Descriptor: | GLYCEROL, Translationally-controlled tumor protein | | Authors: | Dore, K.A, Kashiwakura, J, McDonnell, J.M, Gould, H.J, Kawakami, T, Sutton, B.J, Davies, A.M. | | Deposit date: | 2017-06-19 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (4.014 Å) | | Cite: | Crystal structures of murine and human Histamine-Releasing Factor (HRF/TCTP) and a model for HRF dimerisation in mast cell activation.
Mol. Immunol., 93, 2017
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5OFB
 | | Crystal structure of human MORC2 (residues 1-603) with spinal muscular atrophy mutation S87L | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MORC family CW-type zinc finger protein 2, ... | | Authors: | Douse, C.H, Liu, Y, Modis, Y. | | Deposit date: | 2017-07-10 | | Release date: | 2018-02-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Neuropathic MORC2 mutations perturb GHKL ATPase dimerization dynamics and epigenetic silencing by multiple structural mechanisms.
Nat Commun, 9, 2018
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4UW6
 | | Human galectin-7 in complex with a galactose based dendron D3 | | Descriptor: | DENDRON-D3, GALECTIN-7 | | Authors: | Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R. | | Deposit date: | 2014-08-08 | | Release date: | 2014-11-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7.
FEBS J., 282, 2015
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4ZZC
 | | The GLIC pentameric Ligand-Gated Ion Channel open form complexed to xenon | | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | | Authors: | Sauguet, L, Fourati, Z, Prange, T, Delarue, M, Colloc'h, N. | | Deposit date: | 2015-05-22 | | Release date: | 2016-03-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural Basis for Xenon Inhibition in a Cationic Pentameric Ligand-Gated Ion Channel.
Plos One, 11, 2016
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5OG2
 | | Cu nitrite reductase serial data at varying temperatures RT 0.09MGy | | Descriptor: | ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ... | | Authors: | Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A. | | Deposit date: | 2017-07-11 | | Release date: | 2018-05-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Enzyme catalysis captured using multiple structures from one crystal at varying temperatures.
IUCrJ, 5, 2018
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5OB9
 | | X-ray structure of the adduct formed upon reaction of lysozyme with the compound fac-[RuII(CO)3Cl2(N3-MIM), MIM=methyl-imidazole (crystals grown using ethylene glycol | | Descriptor: | 1,2-ETHANEDIOL, Lysozyme C, NITRATE ION, ... | | Authors: | Pontillo, N, Ferraro, G, Merlino, A. | | Deposit date: | 2017-06-26 | | Release date: | 2017-07-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Ru-Based CO releasing molecules with azole ligands: interaction with proteins and the CO release mechanism disclosed by X-ray crystallography.
Dalton Trans, 46, 2017
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4WHK
 | | A New Class of Peptidomimetics Targeting the Polo-box Domain of Polo-like kinase 1 | | Descriptor: | C6H5(CH2)8-DERIVATIZED PEPTIDE INHIBITOR, Serine/threonine-protein kinase PLK1 | | Authors: | Bang, J.K, Han, Y.H, Ahn, M.J, Lee, K.S. | | Deposit date: | 2014-09-23 | | Release date: | 2014-12-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A new class of peptidomimetics targeting the polo-box domain of polo-like kinase 1.
J.Med.Chem., 58, 2015
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5A33
 | | Electron cryo-microscopy of Cowpea Mosaic Virus (CPMV) empty virus like particle (eVLP) | | Descriptor: | RNA2 POLYPROTEIN | | Authors: | Hesketh, E.L, Meshcheriakova, Y, Dent, K.C, Saxena, P, Thompson, R, Cockburn, J.J, Lomonossoff, G.P, Ranson, N.A. | | Deposit date: | 2015-05-27 | | Release date: | 2015-12-23 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Mechanisms of assembly and genome packaging in an RNA virus revealed by high-resolution cryo-EM.
Nat Commun, 6, 2015
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5OH2
 | | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Pyrrolidin-2-one (Butyrolactam) | | Descriptor: | Cereblon isoform 4, ZINC ION, pyrrolidin-2-one | | Authors: | Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D. | | Deposit date: | 2017-07-14 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Chemical Ligand Space of Cereblon.
Acs Omega, 3, 2018
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5OHB
 | | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Piperidin-2-one (Valerolactam) | | Descriptor: | Cereblon isoform 4, ZINC ION, piperidin-2-one | | Authors: | Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D. | | Deposit date: | 2017-07-14 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Chemical Ligand Space of Cereblon.
Acs Omega, 3, 2018
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5OHN
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5A5T
 | | Structure of mammalian eIF3 in the context of the 43S preinitiation complex | | Descriptor: | EUKARYOTIC TRANSLATION INITIATION FACTOR 3 SUBUNIT A, EUKARYOTIC TRANSLATION INITIATION FACTOR 3 SUBUNIT C, EUKARYOTIC TRANSLATION INITIATION FACTOR 3 SUBUNIT E, ... | | Authors: | des-Georges, A, Dhote, V, Kuhn, L, Hellen, C.U.T, Pestova, T.V, Frank, J, Hashem, Y. | | Deposit date: | 2015-06-21 | | Release date: | 2015-09-09 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (6 Å) | | Cite: | Structure of Mammalian Eif3 in the Context of the 43S Preinitiation Complex.
Nature, 525, 2015
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5OC1
 | | Crystal structure of aryl-alcohol oxidase from Pleurotus eryngii in complex with p-anisic acid | | Descriptor: | 4-METHOXYBENZOIC ACID, Aryl-alcohol oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Carro, J, Martinez-Julvez, M, Medina, M, Martinez, A, Ferreira, P. | | Deposit date: | 2017-06-29 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Protein dynamics promote hydride tunnelling in substrate oxidation by aryl-alcohol oxidase.
Phys Chem Chem Phys, 19, 2017
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4V2R
 | | Ironing out their differences: Dissecting the structural determinants of a phenylalanine aminomutase and ammonia lyase | | Descriptor: | PHENYLALANINE AMINOMUTASE (L-BETA-PHENYLALANINE FORMING) | | Authors: | Heberling, M, Masman, M, Bartsch, S, Wybenga, G.G, Dijkstra, B.W, Marrink, S, Janssen, D. | | Deposit date: | 2014-10-14 | | Release date: | 2014-12-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Ironing out their differences: dissecting the structural determinants of a phenylalanine aminomutase and ammonia lyase.
ACS Chem. Biol., 10, 2015
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5OJN
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5OCT
 | | Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method. | | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GTPase KRas, ... | | Authors: | Cruz-Migoni, A, Ehebauer, M.T, Phillips, S.E.V, Quevedo, C.E, Rabbitts, T.H. | | Deposit date: | 2017-07-03 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
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5A5P
 | | Crystal structure of human ATAD2 bromodomain in complex with 8-2-(dimethylamino)ethylamino-3-methyl-1,2-dihydroquinolin-2-one | | Descriptor: | 1,2-ETHANEDIOL, 8-{[2-(dimethylamino)ethyl]amino}-3-methyl-1,2-dihydroquinolin-2-one, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ... | | Authors: | Chung, C, Bamborough, P, Demont, E. | | Deposit date: | 2015-06-20 | | Release date: | 2015-07-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Fragment-Based Discovery of Low-Micromolar Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
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5A81
 | | Crystal structure of human ATAD2 bromodomain in complex with 8-(3R,4R) -3-(cyclohexylmethoxy)piperidin-4-yl-amino-3-methyl-1,2-dihydro-1,7- naphthyridin-2-one | | Descriptor: | (3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino}-3-methyl-1,2-dihydro-1,7-naphthyridin-2-one, 1,2-ETHANEDIOL, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ... | | Authors: | Chung, C, Bamborough, P, Demont, E. | | Deposit date: | 2015-07-11 | | Release date: | 2015-08-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structure-Based Optimization of Naphthyridones Into Potent Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
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5ODK
 | | Single-stranded DNA-binding protein from bacteriophage Enc34, C-terminal truncation | | Descriptor: | GLYCEROL, PHOSPHATE ION, single-stranded DNA-binding protein | | Authors: | Cernooka, E, Rumnieks, J, Kazaks, A, Tars, K. | | Deposit date: | 2017-07-05 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Structural Basis for DNA Recognition of a Single-stranded DNA-binding Protein from Enterobacter Phage Enc34.
Sci Rep, 7, 2017
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5A90
 | | 100K Neutron Ligand Free: Exploring the Mechanism of beta-Lactam Ring Protonation in the Class A beta-lactamase Acylation Mechanism Using Neutron and X-ray Crystallography | | Descriptor: | BETA-LACTAMASE CTX-M-97 | | Authors: | Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L. | | Deposit date: | 2015-07-17 | | Release date: | 2015-12-16 | | Last modified: | 2024-05-08 | | Method: | NEUTRON DIFFRACTION (1.7 Å) | | Cite: | Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography.
J.Med.Chem., 59, 2016
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5AF2
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5AGL
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-(methylsulfonyl)acetimidamido)pentanoic acid | | Descriptor: | (S)-2-Amino-5-(2-(methylsulfonyl)acetimidamido)pentanoic acid, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2015-02-02 | | Release date: | 2015-04-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid.
J.Am.Chem.Soc., 137, 2015
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5ODY
 | | Galectin-3C in complex with dithiogalactoside derivative | | Descriptor: | 5,6-bis(fluoranyl)-3-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one, Galectin-3 | | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | | Deposit date: | 2017-07-07 | | Release date: | 2018-05-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.149 Å) | | Cite: | Systematic Tuning of Fluoro-galectin-3 Interactions Provides Thiodigalactoside Derivatives with Single-Digit nM Affinity and High Selectivity.
J. Med. Chem., 61, 2018
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