3H9V
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![BU of 3h9v by Molmil](/molmil-images/mine/3h9v) | Crystal structure of the ATP-gated P2X4 ion channel in the closed, apo state at 3.1 Angstroms | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GADOLINIUM ATOM, P2X purinoceptor | Authors: | Kawate, T, Michel, J.C, Gouaux, E. | Deposit date: | 2009-04-30 | Release date: | 2009-07-28 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of the ATP-gated P2X(4) ion channel in the closed state. Nature, 460, 2009
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1AF6
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![BU of 1af6 by Molmil](/molmil-images/mine/1af6) | MALTOPORIN SUCROSE COMPLEX | Descriptor: | MAGNESIUM ION, MALTOPORIN, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | Authors: | Dutzler, R, Schirmer, T. | Deposit date: | 1997-03-21 | Release date: | 1998-03-25 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Channel specificity: structural basis for sugar discrimination and differential flux rates in maltoporin. J.Mol.Biol., 272, 1997
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4U65
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![BU of 4u65 by Molmil](/molmil-images/mine/4u65) | Structure of the periplasmic output domain of the Legionella pneumophila LapD ortholog CdgS9 in complex with Pseudomonas fluorescens LapG | Descriptor: | CALCIUM ION, Putative cystine protease, Two component histidine kinase, ... | Authors: | Chatterjee, D, Cooley, R.B, Boyd, C.D, Mehl, R.A, O'Toole, G.A, Sondermann, H.S. | Deposit date: | 2014-07-27 | Release date: | 2014-08-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mechanistic insight into the conserved allosteric regulation of periplasmic proteolysis by the signaling molecule cyclic-di-GMP. Elife, 3, 2014
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4U6C
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7NL7
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![BU of 7nl7 by Molmil](/molmil-images/mine/7nl7) | Crystal Structure of DC-SIGN in complex with a triazole-based glycomimetic ligand | Descriptor: | 3-Aminopropyl 2-deoxy-2-(4-phenyl-1,2,3-triazol-1-yl)-alpha-D-mannopyranoside, CALCIUM ION, DC-SIGN, ... | Authors: | Jakob, R.P, Cramer, J, Lakkaichi, A, Aliu, B, Cattaneo, I, Klein, S, Jiang, X, Rabbani, S, Schwardt, O, Ernst, B, Maier, T. | Deposit date: | 2021-02-22 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Sweet Drugs for Bad Bugs: A Glycomimetic Strategy against the DC-SIGN-Mediated Dissemination of SARS-CoV-2. J.Am.Chem.Soc., 143, 2021
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6ON4
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![BU of 6on4 by Molmil](/molmil-images/mine/6on4) | Crystal structure of the GntR-type sialoregulator NanR from Escherichia coli, in complex with sialic acid | Descriptor: | HTH-type transcriptional repressor NanR, N-acetyl-beta-neuraminic acid, ZINC ION, ... | Authors: | Horne, C.R, Panjikar, S, North, R.A, Dobson, R.C.J. | Deposit date: | 2019-04-19 | Release date: | 2020-07-08 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Control of the Escherichia coli sialoregulon by transcriptional repressor NanR. J. Bacteriol., 195, 2013
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7S7F
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![BU of 7s7f by Molmil](/molmil-images/mine/7s7f) | STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH DOT1L(998-1006) PHOSPHOPEPTIDE | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ... | Authors: | Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | Deposit date: | 2021-09-15 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity. Nat Commun, 14, 2023
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4U5W
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![BU of 4u5w by Molmil](/molmil-images/mine/4u5w) | Crystal Structure of HIV-1 Nef-SF2 Core Domain in Complex with the Src Family Kinase Hck SH3-SH2 Tandem Regulatory Domains | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, IODIDE ION, Protein Nef, ... | Authors: | Alvarado, J.J, Yeh, J.I, Smithgall, T.E. | Deposit date: | 2014-07-25 | Release date: | 2014-08-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Interaction with the Src Homology (SH3-SH2) Region of the Src-family Kinase Hck Structures the HIV-1 Nef Dimer for Kinase Activation and Effector Recruitment. J.Biol.Chem., 289, 2014
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4U63
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![BU of 4u63 by Molmil](/molmil-images/mine/4u63) | Crystal structure of a bacterial class III photolyase from Agrobacterium tumefaciens at 1.67A resolution | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID, DNA photolyase, ... | Authors: | Scheerer, P, Zhang, F, Kalms, J, von Stetten, D, Krauss, N, Oberpichler, I, Lamparter, T. | Deposit date: | 2014-07-26 | Release date: | 2015-03-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | The Class III Cyclobutane Pyrimidine Dimer Photolyase Structure Reveals a New Antenna Chromophore Binding Site and Alternative Photoreduction Pathways. J.Biol.Chem., 290, 2015
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4U64
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![BU of 4u64 by Molmil](/molmil-images/mine/4u64) | Structure of the periplasmic output domain of the Legionella pneumophila LapD ortholog CdgS9 in the apo state | Descriptor: | Two component histidine kinase, GGDEF domain protein/EAL domain protein | Authors: | Chatterjee, D, Cooley, R.B, Boyd, C.D, Mehl, R.A, O'Toole, G.A, Sondermann, H.S. | Deposit date: | 2014-07-27 | Release date: | 2014-08-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.141 Å) | Cite: | Mechanistic insight into the conserved allosteric regulation of periplasmic proteolysis by the signaling molecule cyclic-di-GMP. Elife, 3, 2014
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7S7E
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![BU of 7s7e by Molmil](/molmil-images/mine/7s7e) | STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH DOT1L(998-1006) PEPTIDE | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ... | Authors: | Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | Deposit date: | 2021-09-15 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity. Nat Commun, 14, 2023
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4U69
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![BU of 4u69 by Molmil](/molmil-images/mine/4u69) | HsMetAP complex with (1-amino-2-methylpentyl)phosphonic acid | Descriptor: | COBALT (II) ION, Methionine aminopeptidase 1, POTASSIUM ION, ... | Authors: | Arya, T, Addlagatta, A. | Deposit date: | 2014-07-28 | Release date: | 2015-03-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases J.Med.Chem., 58, 2015
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4U6D
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![BU of 4u6d by Molmil](/molmil-images/mine/4u6d) | Zg3615, a family 117 glycoside hydrolase in complex with beta-3,6-anhydro-L-galactose | Descriptor: | 1,2-ETHANEDIOL, 3,6-anhydro-beta-L-galactopyranose, CALCIUM ION, ... | Authors: | Ficko-Blean, E. | Deposit date: | 2014-07-28 | Release date: | 2015-02-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Biochemical and structural investigation of two paralogous glycoside hydrolases from Zobellia galactanivorans: novel insights into the evolution, dimerization plasticity and catalytic mechanism of the GH117 family. Acta Crystallogr.,Sect.D, 71, 2015
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4U6N
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![BU of 4u6n by Molmil](/molmil-images/mine/4u6n) | Crystal structure of Escherichia coli DiaA | Descriptor: | CHLORIDE ION, DnaA initiator-associating protein DiaA | Authors: | Oakley, A.J, Lo, T. | Deposit date: | 2014-07-29 | Release date: | 2014-08-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Crystal structure of Escherichia coli DiaA To Be Published
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4U8E
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![BU of 4u8e by Molmil](/molmil-images/mine/4u8e) | Crystal structure of 4-deoxy-L-threo-5-hexosulose-uronate ketol-isomerase from Streptococcus agalactiae | Descriptor: | Putative uncharacterized protein gbs1892 | Authors: | Maruyama, y, Oiki, S, Takase, R, Mikami, B, Murata, K, Hashimoto, W. | Deposit date: | 2014-08-03 | Release date: | 2015-01-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Metabolic Fate of Unsaturated Glucuronic/Iduronic Acids from Glycosaminoglycans: MOLECULAR IDENTIFICATION AND STRUCTURE DETERMINATION OF STREPTOCOCCAL ISOMERASE AND DEHYDROGENASE J.Biol.Chem., 290, 2015
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4U70
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7NA2
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![BU of 7na2 by Molmil](/molmil-images/mine/7na2) | HDM2 in complex with compound 56 | Descriptor: | 3-[4-(5-chloropyridin-3-yl)-2-[(4aR,7aR)-hexahydrocyclopenta[b][1,4]oxazin-4(4aH)-yl]-3-{[(1r,4R)-4-methylcyclohexyl]methyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one, Isoform 11 of E3 ubiquitin-protein ligase Mdm2 | Authors: | Scapin, G. | Deposit date: | 2021-06-19 | Release date: | 2021-11-10 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction. J.Med.Chem., 64, 2021
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7NA3
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![BU of 7na3 by Molmil](/molmil-images/mine/7na3) | HDM2 in complex with compound 62 | Descriptor: | 3-[4-(5-chloropyridin-3-yl)-2-[(2S)-1-methoxypropan-2-yl]-3-{(1R)-1-[(1r,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one, Isoform 11 of E3 ubiquitin-protein ligase Mdm2, SULFATE ION | Authors: | Scapin, G. | Deposit date: | 2021-06-19 | Release date: | 2021-11-10 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction. J.Med.Chem., 64, 2021
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4U76
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![BU of 4u76 by Molmil](/molmil-images/mine/4u76) | HsMetAP (F309M) holo form | Descriptor: | COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ... | Authors: | Arya, T, Addlagatta, A. | Deposit date: | 2014-07-30 | Release date: | 2015-03-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases J.Med.Chem., 58, 2015
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4U90
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![BU of 4u90 by Molmil](/molmil-images/mine/4u90) | GephE in complex with PEG crosslinked GABA receptor alpha3 subunit derived dimeric peptide | Descriptor: | 1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(1H-pyrrole-2,5-dione), 1,4-BUTANEDIOL, Gamma-aminobutyric acid receptor subunit alpha-3, ... | Authors: | Kasaragod, V.B, Maric, H.M, Schindelin, H. | Deposit date: | 2014-08-05 | Release date: | 2014-12-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and Synthesis of High-Affinity Dimeric Inhibitors Targeting the Interactions between Gephyrin and Inhibitory Neurotransmitter Receptors. Angew.Chem.Int.Ed.Engl., 54, 2015
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7NA1
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![BU of 7na1 by Molmil](/molmil-images/mine/7na1) | HDM2 in complex with compound 2 | Descriptor: | 8-(1-benzothiophen-5-yl)-7-[(4-chlorophenyl)methyl]-6-{[(1R)-1-cyclopropylethyl]amino}-7H-purine-2-carboxylic acid, CITRIC ACID, E3 ubiquitin-protein ligase Mdm2, ... | Authors: | Scapin, G. | Deposit date: | 2021-06-19 | Release date: | 2021-11-10 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction. J.Med.Chem., 64, 2021
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7RZJ
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![BU of 7rzj by Molmil](/molmil-images/mine/7rzj) | CRYSTAL STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PHOSPHOPEPTIDE | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ... | Authors: | Patskovsky, Y, Patskovska, L, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | Deposit date: | 2021-08-27 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity. Nat Commun, 14, 2023
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4U9A
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![BU of 4u9a by Molmil](/molmil-images/mine/4u9a) | |
7NA4
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![BU of 7na4 by Molmil](/molmil-images/mine/7na4) | HDM2 in complex with compound 63 | Descriptor: | 3-[4-(5-chloropyridin-3-yl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-{(1R)-1-[(1r,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one, CHLORIDE ION, GLYCEROL, ... | Authors: | Scapin, G. | Deposit date: | 2021-06-19 | Release date: | 2021-11-10 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction. J.Med.Chem., 64, 2021
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4U9J
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![BU of 4u9j by Molmil](/molmil-images/mine/4u9j) | Crystal structure of an H-NOX protein from S. oneidensis in the Mn(II) ligation state, Q154A/Q155A/K156A mutant | Descriptor: | MANGANESE PROTOPORPHYRIN IX, NO-binding heme-dependent sensor protein, SODIUM ION, ... | Authors: | Herzik Jr, M.A, Jonnalagadda, R, Kuriyan, J, Marletta, M.A. | Deposit date: | 2014-08-06 | Release date: | 2014-10-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural insights into the role of iron-histidine bond cleavage in nitric oxide-induced activation of H-NOX gas sensor proteins. Proc.Natl.Acad.Sci.USA, 111, 2014
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