6BH5
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![BU of 6bh5 by Molmil](/molmil-images/mine/6bh5) | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(3-(piperidin-1-yl)propoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N48) | Descriptor: | 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[3-(piperidin-1-yl)propoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2017-10-29 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.651 Å) | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A. J. Med. Chem., 61, 2018
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6BH3
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6BGY
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![BU of 6bgy by Molmil](/molmil-images/mine/6bgy) | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound 46) | Descriptor: | 1,2-ETHANEDIOL, 2-[(S)-(2-chlorophenyl){2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy}methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2017-10-29 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A. J. Med. Chem., 61, 2018
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6BGX
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![BU of 6bgx by Molmil](/molmil-images/mine/6bgx) | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)((4,4-difluorocyclohexyl)methoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound N42) | Descriptor: | 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[(4,4-difluorocyclohexyl)methoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2017-10-29 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.882 Å) | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A. J. Med. Chem., 61, 2018
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2K8H
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5G5J
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![BU of 5g5j by Molmil](/molmil-images/mine/5g5j) | Crystal structure of human CYP3A4 bound to metformin | Descriptor: | CYTOCHROME P450 3A4, Metformin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I. | Deposit date: | 2016-05-25 | Release date: | 2017-06-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Heme Binding Biguanides Target Cytochrome P450-Dependent Cancer Cell Mitochondria. Cell Chem Biol, 24, 2017
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6WI7
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![BU of 6wi7 by Molmil](/molmil-images/mine/6wi7) | RING1B-BMI1 fusion in closed conformation | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E3 ubiquitin-protein ligase RING2, Polycomb complex protein BMI-1 chimera, ... | Authors: | Cho, H.J, Cierpicki, T. | Deposit date: | 2020-04-08 | Release date: | 2021-04-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Small-molecule inhibitors targeting Polycomb repressive complex 1 RING domain. Nat.Chem.Biol., 17, 2021
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6WI8
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6UKG
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![BU of 6ukg by Molmil](/molmil-images/mine/6ukg) | HhaI endonuclease in Complex With DNA in space group P21 (pH 4.2) | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*AP*GP*CP*GP*CP*AP*AP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*TP*TP*GP*CP*GP*CP*TP*TP*GP*GP*A)-3'), ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2019-10-04 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Structure of HhaI endonuclease with cognate DNA at an atomic resolution of 1.0 angstrom. Nucleic Acids Res., 48, 2020
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6UKF
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7DD7
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![BU of 7dd7 by Molmil](/molmil-images/mine/7dd7) | Structure of Calcium-Sensing Receptor in complex with Evocalcet | Descriptor: | 2-[4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wen, T.L, Yang, X, Shen, Y.Q. | Deposit date: | 2020-10-27 | Release date: | 2021-06-16 | Last modified: | 2021-06-23 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis for activation and allosteric modulation of full-length calcium-sensing receptor. Sci Adv, 7, 2021
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7DD5
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![BU of 7dd5 by Molmil](/molmil-images/mine/7dd5) | Structure of Calcium-Sensing Receptor in complex with NPS-2143 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-chloro-6-[(2R)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile, ... | Authors: | Wen, T.L, Yang, X, Shen, Y.Q. | Deposit date: | 2020-10-27 | Release date: | 2021-06-16 | Last modified: | 2021-06-23 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis for activation and allosteric modulation of full-length calcium-sensing receptor. Sci Adv, 7, 2021
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7DD6
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![BU of 7dd6 by Molmil](/molmil-images/mine/7dd6) | Structure of Ca2+/L-Trp-bonnd Calcium-Sensing Receptor in active state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Wen, T.L, Yang, X, Shen, Y.Q. | Deposit date: | 2020-10-27 | Release date: | 2021-06-16 | Last modified: | 2021-06-23 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis for activation and allosteric modulation of full-length calcium-sensing receptor. Sci Adv, 7, 2021
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6UKI
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6V62
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![BU of 6v62 by Molmil](/molmil-images/mine/6v62) | SETD3 double mutant (N255F/W273A) in Complex with an Actin Peptide with His73 Replaced with Lysine | Descriptor: | 1,2-ETHANEDIOL, Actin, cytoplasmic 1, ... | Authors: | Dai, S, Horton, J.R, Cheng, X. | Deposit date: | 2019-12-04 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | An engineered variant of SETD3 methyltransferase alters target specificity from histidine to lysine methylation. J.Biol.Chem., 295, 2020
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6UKH
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![BU of 6ukh by Molmil](/molmil-images/mine/6ukh) | HhaI endonuclease in Complex with DNA in space group P41212 (pH 6.0) | Descriptor: | CALCIUM ION, DNA (5'-D(*CP*CP*AP*AP*GP*CP*GP*CP*AP*AP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*TP*TP*GP*CP*GP*CP*TP*TP*GP*G)-3'), ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2019-10-04 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Structure of HhaI endonuclease with cognate DNA at an atomic resolution of 1.0 angstrom. Nucleic Acids Res., 48, 2020
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6UKE
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6V63
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![BU of 6v63 by Molmil](/molmil-images/mine/6v63) | SETD3 WT in Complex with an Actin Peptide with His73 Replaced with Glutamine | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Actin, ... | Authors: | Dai, S, Horton, J.R, Cheng, X. | Deposit date: | 2019-12-04 | Release date: | 2020-01-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | An engineered variant of SETD3 methyltransferase alters target specificity from histidine to lysine methylation. J.Biol.Chem., 295, 2020
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7TBI
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![BU of 7tbi by Molmil](/molmil-images/mine/7tbi) | Composite structure of the S. cerevisiae nuclear pore complex (NPC) | Descriptor: | Dyn2, Nic96 R1, Nic96 R2, ... | Authors: | Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A. | Deposit date: | 2021-12-22 | Release date: | 2022-06-15 | Last modified: | 2022-06-22 | Method: | ELECTRON MICROSCOPY (25 Å) | Cite: | Architecture of the linker-scaffold in the nuclear pore. Science, 376, 2022
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7V2A
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![BU of 7v2a by Molmil](/molmil-images/mine/7v2a) | SARS-CoV-2 Spike trimer in complex with XG014 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, The heavy chain of XG014, ... | Authors: | Wang, K, Wang, X, Pan, L. | Deposit date: | 2021-08-07 | Release date: | 2021-10-20 | Last modified: | 2022-07-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope. Protein Cell, 13, 2022
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5GQQ
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![BU of 5gqq by Molmil](/molmil-images/mine/5gqq) | Structure of ALG-2/HEBP2 Complex | Descriptor: | CALCIUM ION, CHLORIDE ION, Heme-binding protein 2, ... | Authors: | Liu, X, Ma, J, Zhang, H, Feng, Y. | Deposit date: | 2016-08-08 | Release date: | 2016-11-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and Functional Study of Apoptosis-linked Gene-2Heme-binding Protein 2 Interactions in HIV-1 Production. J. Biol. Chem., 291, 2016
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4RF3
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![BU of 4rf3 by Molmil](/molmil-images/mine/4rf3) | Crystal Structure of ketoreductase from Lactobacillus kefir, mutant A94F | Descriptor: | GLYCEROL, MAGNESIUM ION, NADPH dependent R-specific alcohol dehydrogenase | Authors: | Tang, Y, Tibrewal, N, Cascio, D. | Deposit date: | 2014-09-24 | Release date: | 2015-09-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.694 Å) | Cite: | Origins of stereoselectivity in evolved ketoreductases. Proc.Natl.Acad.Sci.USA, 112, 2015
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4RF5
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![BU of 4rf5 by Molmil](/molmil-images/mine/4rf5) | Crystal structure of ketoreductase from Lactobacillus kefir, E145S mutant | Descriptor: | GLYCEROL, MAGNESIUM ION, NADPH dependent R-specific alcohol dehydrogenase | Authors: | Tang, Y, Tibrewal, N, Cascio, D. | Deposit date: | 2014-09-24 | Release date: | 2015-09-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.596 Å) | Cite: | Origins of stereoselectivity in evolved ketoreductases. Proc.Natl.Acad.Sci.USA, 112, 2015
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8ORG
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8ORF
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![BU of 8orf by Molmil](/molmil-images/mine/8orf) | |