6M65
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![BU of 6m65 by Molmil](/molmil-images/mine/6m65) | Crystal structure of Mycobacterium smegmatis MutT1 in complex with GMPPNP (GDP) | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Raj, P, Karthik, S, Arif, S.M, Varshney, U, Vijayan, M. | Deposit date: | 2020-03-13 | Release date: | 2020-10-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Plasticity, ligand conformation and enzyme action of Mycobacterium smegmatis MutT1. Acta Crystallogr D Struct Biol, 76, 2020
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6SE4
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![BU of 6se4 by Molmil](/molmil-images/mine/6se4) | Crystal Structure of the first bromodomain of human BRD4 in complex with (+)-JD1, an Organometallic BET Bromodomain Inhibitor | Descriptor: | (+)-JD1, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | Authors: | Krojer, T, Hassell-Hart, S, Picaud, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P, Spencer, J, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2019-07-29 | Release date: | 2019-08-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Crystal Structure of the first bromodomain of human BRD4 in complex with (+)-JD1, an Organometallic BET Bromodomain Inhibitor To Be Published
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7QGR
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![BU of 7qgr by Molmil](/molmil-images/mine/7qgr) | Structure of the SmrB-bound E. coli disome - collided 70S ribosome | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ... | Authors: | Kratzat, H, Buschauer, R, Berninghausen, O, Beckmann, R. | Deposit date: | 2021-12-09 | Release date: | 2022-06-22 | Method: | ELECTRON MICROSCOPY (5.7 Å) | Cite: | Ribosome collisions induce mRNA cleavage and ribosome rescue in bacteria. Nature, 603, 2022
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7AEN
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![BU of 7aen by Molmil](/molmil-images/mine/7aen) | Galectin-8 N-terminal carbohydrate recognition domain in complex with methyl 3-O-((7-carboxy)quinolin-2-yl)-methoxy)-beta-D-galactopyranoside | Descriptor: | CHLORIDE ION, GLYCEROL, Isoform 2 of Galectin-8, ... | Authors: | Hassan, M, Klavern, V.S, Hakansson, M, Anderluh, M, Tomasic, T, Jakopin, Z, Nilsson, J.U, Kovacic, R, Walse, B, Diehl, C. | Deposit date: | 2020-09-17 | Release date: | 2021-07-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Guided Design of d-Galactal Derivatives with High Affinity and Selectivity for the Galectin-8 N-Terminal Domain Acs Med.Chem.Lett., 12, 2021
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6M69
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![BU of 6m69 by Molmil](/molmil-images/mine/6m69) | Crystal structure of Mycobacterium smegmatis MutT1 in complex with GMPPCP (GDP) | Descriptor: | 1,2-ETHANEDIOL, GUANOSINE-5'-DIPHOSPHATE, Hydrolase, ... | Authors: | Raj, P, Karthik, S, Arif, S.M, Varshney, U, Vijayan, M. | Deposit date: | 2020-03-13 | Release date: | 2020-10-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Plasticity, ligand conformation and enzyme action of Mycobacterium smegmatis MutT1. Acta Crystallogr D Struct Biol, 76, 2020
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3JCH
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5IYE
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![BU of 5iye by Molmil](/molmil-images/mine/5iye) | Comparison of X-ray crystal structures of a tetradecamer sequence d(CCCGGGTACCCGGG)2 at 1.7 resolution | Descriptor: | DNA (5'-D(*CP*CP*CP*GP*GP*GP*TP*AP*CP*CP*CP*GP*GP*G)-3'), ZINC ION | Authors: | Karthik, S, Thirugnanasambandam, A, Mandal, P.K, Gautham, N. | Deposit date: | 2016-03-24 | Release date: | 2017-03-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.694 Å) | Cite: | Comparison of X-ray crystal structures of a tetradecamer sequence d(CCCGGGTACCCGGG)2 at 1.7 angstrom resolution. Nucleosides Nucleotides Nucleic Acids, 36, 2017
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5IYG
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5IYJ
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3JAJ
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5FPE
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![BU of 5fpe by Molmil](/molmil-images/mine/5fpe) | Structure of heat shock-related 70kDA protein 2 with small-molecule ligand 1H-1,2,4-triazol-3-amine (AT485) in an alternate binding site. | Descriptor: | 3-AMINO-1,2,4-TRIAZOLE, HEAT SHOCK-RELATED 70KDA PROTEIN 2 | Authors: | Jhoti, H, Ludlow, R.F, Patel, S, Saini, H.K, Tickle, I.J, Verdonk, M. | Deposit date: | 2015-11-28 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Detection of Secondary Binding Sites in Proteins Using Fragment Screening. Proc.Natl.Acad.Sci.USA, 112, 2015
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3JCG
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6M6Y
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![BU of 6m6y by Molmil](/molmil-images/mine/6m6y) | Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-dGTP | Descriptor: | 1,2-ETHANEDIOL, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Hydrolase, ... | Authors: | Raj, P, Karthik, S, Arif, S.M, Varshney, U, Vijayan, M. | Deposit date: | 2020-03-16 | Release date: | 2020-10-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Plasticity, ligand conformation and enzyme action of Mycobacterium smegmatis MutT1. Acta Crystallogr D Struct Biol, 76, 2020
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6M72
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![BU of 6m72 by Molmil](/molmil-images/mine/6m72) | Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-dGDP | Descriptor: | 2'-deoxy-8-oxoguanosine 5'-(trihydrogen diphosphate), Hydrolase, NUDIX family protein, ... | Authors: | Raj, P, Karthik, S, Arif, S.M, Varshney, U, Vijayan, M. | Deposit date: | 2020-03-16 | Release date: | 2020-10-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Plasticity, ligand conformation and enzyme action of Mycobacterium smegmatis MutT1. Acta Crystallogr D Struct Biol, 76, 2020
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7QVP
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![BU of 7qvp by Molmil](/molmil-images/mine/7qvp) | Human collided disome (di-ribosome) stalled on XBP1 mRNA | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ... | Authors: | Denk, T.G, Tesina, P, Beckmann, R. | Deposit date: | 2022-01-22 | Release date: | 2022-10-12 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | A distinct mammalian disome collision interface harbors K63-linked polyubiquitination of uS10 to trigger hRQT-mediated subunit dissociation. Nat Commun, 13, 2022
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5DDC
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![BU of 5ddc by Molmil](/molmil-images/mine/5ddc) | Menin in complex with MI-2-3 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-(2,2,2-trifluoroethyl)-4-{4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, ... | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | Deposit date: | 2015-08-24 | Release date: | 2016-07-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes. J.Med.Chem., 58, 2015
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5GOA
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![BU of 5goa by Molmil](/molmil-images/mine/5goa) | Cryo-EM structure of RyR2 in open state | Descriptor: | RyR2, ZINC ION | Authors: | Peng, W, Wu, J.P, Yan, N. | Deposit date: | 2016-07-26 | Release date: | 2016-10-05 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structural basis for the gating mechanism of the type 2 ryanodine receptor RyR2 Science, 354, 2016
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7QOW
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![BU of 7qow by Molmil](/molmil-images/mine/7qow) | Crystal structure of Vibrio alkaline phosphatase in 1.0 M NaCl | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alkaline phosphatase, ... | Authors: | Markusson, S, Hjorleifsson, J.G, Kursula, P, Asgeirsson, B. | Deposit date: | 2021-12-29 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural Characterization of Functionally Important Chloride Binding Sites in the Marine Vibrio Alkaline Phosphatase. Biochemistry, 61, 2022
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7QP8
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![BU of 7qp8 by Molmil](/molmil-images/mine/7qp8) | Crystal structure of Vibrio alkaline phosphatase with bound HEPES | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Alkaline phosphatase, CHLORIDE ION, ... | Authors: | Markusson, S, Hjorleifsson, J.G, Kursula, P, Asgeirsson, B. | Deposit date: | 2022-01-03 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Characterization of Functionally Important Chloride Binding Sites in the Marine Vibrio Alkaline Phosphatase. Biochemistry, 61, 2022
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4OG5
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![BU of 4og5 by Molmil](/molmil-images/mine/4og5) | Human menin with bound inhibitor MIV-5 | Descriptor: | 4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J. | Deposit date: | 2014-01-15 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction. J.Med.Chem., 57, 2014
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7B0M
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![BU of 7b0m by Molmil](/molmil-images/mine/7b0m) | Sugar transaminase from a metagenome collected from troll oil field production water | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Sugar aminotransferase, ... | Authors: | Littlechild, J.A, De Rose, S.A, Isupov, M.N, Sayer, C, Karki, S. | Deposit date: | 2020-11-20 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Sugar transaminases from hot environments To Be Published
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5JQF
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![BU of 5jqf by Molmil](/molmil-images/mine/5jqf) | Crystal structure of the lasso peptide Sphingopyxin I (SpI) | Descriptor: | Sphingopyxin I | Authors: | Fage, C.D, Hegemann, J.D, Harms, K, Bange, G, Marahiel, M.A. | Deposit date: | 2016-05-04 | Release date: | 2016-09-14 | Last modified: | 2021-06-16 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | Structure and Mechanism of the Sphingopyxin I Lasso Peptide Isopeptidase. Angew. Chem. Int. Ed. Engl., 55, 2016
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3JAU
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![BU of 3jau by Molmil](/molmil-images/mine/3jau) | The cryoEM map of EV71 mature viron in complex with the Fab fragment of antibody D5 | Descriptor: | Capsid protein VP1, Heavy chain of Fab fragment variable region of antibody D5, Light chain of Fab fragment variable region of antibody D5 | Authors: | Fan, C, Ye, X.H, Ku, Z.Q, Zuo, T, Kong, L.L, Zhang, C, Shi, J.P, Liu, Q.W, Chen, T, Zhang, Y.Y, Jiang, W, Zhang, L.Q, Huang, Z, Cong, Y. | Deposit date: | 2015-06-24 | Release date: | 2016-02-10 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Structural Basis for Recognition of Human Enterovirus 71 by a Bivalent Broadly Neutralizing Monoclonal Antibody Plos Pathog., 12, 2016
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7B0D
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![BU of 7b0d by Molmil](/molmil-images/mine/7b0d) | Sugar transaminase from Archaeoglobus veneficus | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | James, P, Littlechild, J.A, De Rose, S.A, Isupov, M.N. | Deposit date: | 2020-11-19 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Sugar transaminases from hot environments To Be Published
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5DDA
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![BU of 5dda by Molmil](/molmil-images/mine/5dda) | Menin in complex with MI-333 | Descriptor: | 1,2-ETHANEDIOL, 4-{4-[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, DIMETHYL SULFOXIDE, ... | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | Deposit date: | 2015-08-24 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes. J.Med.Chem., 58, 2015
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