5EIJ
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![BU of 5eij by Molmil](/molmil-images/mine/5eij) | Carbonic Anhydrase II in complex with Sulfonamide Inhibitor | Descriptor: | 1-(3-iodanylphenyl)-3-(4-sulfamoylphenyl)thiourea, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Lomelino, C.L, Mahon, B.P, McKenna, R. | Deposit date: | 2015-10-29 | Release date: | 2016-11-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Kinetic and X-ray crystallographic investigations on carbonic anhydrase isoforms I, II, IX and XII of a thioureido analog of SLC-0111. Bioorg. Med. Chem., 24, 2016
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6RZP
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![BU of 6rzp by Molmil](/molmil-images/mine/6rzp) | Multicrystal structure of Proteinase K at room temperature using a multilayer monochromator. | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Sandy, J, Sandy, E, Sanchez-Weatherby, J, Mikolajek, H. | Deposit date: | 2019-06-13 | Release date: | 2019-07-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Protein-to-structure pipeline for ambient-temperature crystallography at VMXi Iucrj, 2023
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8C5D
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![BU of 8c5d by Molmil](/molmil-images/mine/8c5d) | Glutathione transferase P1-1 from Mus musculus | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Papageorgiou, A.C. | Deposit date: | 2023-01-06 | Release date: | 2023-05-24 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Inhibition Analysis and High-Resolution Crystal Structure of Mus musculus Glutathione Transferase P1-1. Biomolecules, 13, 2023
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8C83
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![BU of 8c83 by Molmil](/molmil-images/mine/8c83) | Cryo-EM structure of in vitro reconstituted Otu2-bound Ub-40S complex | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S11-A, ... | Authors: | Ikeuchi, K, Buschauer, R, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | Deposit date: | 2023-01-18 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Molecular basis for recognition and deubiquitination of 40S ribosomes by Otu2. Nat Commun, 14, 2023
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8CAH
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![BU of 8cah by Molmil](/molmil-images/mine/8cah) | Cryo-EM structure of native Otu2-bound ubiquitinated 43S pre-initiation complex | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ... | Authors: | Ikeuchi, K, Buschauer, R, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | Deposit date: | 2023-01-24 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Molecular basis for recognition and deubiquitination of 40S ribosomes by Otu2. Nat Commun, 14, 2023
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8CAS
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![BU of 8cas by Molmil](/molmil-images/mine/8cas) | Cryo-EM structure of native Otu2-bound ubiquitinated 48S initiation complex (partial) | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ... | Authors: | Ikeuchi, K, Buschauer, R, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | Deposit date: | 2023-01-24 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Molecular basis for recognition and deubiquitination of 40S ribosomes by Otu2. Nat Commun, 14, 2023
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8CBJ
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![BU of 8cbj by Molmil](/molmil-images/mine/8cbj) | Cryo-EM structure of Otu2-bound cytoplasmic pre-40S ribosome biogenesis complex | Descriptor: | 20S pre-ribosomal RNA, 20S-pre-rRNA D-site endonuclease NOB1, 40S ribosomal protein S0-A, ... | Authors: | Ikeuchi, K, Buschauer, R, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | Deposit date: | 2023-01-25 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Molecular basis for recognition and deubiquitination of 40S ribosomes by Otu2. Nat Commun, 14, 2023
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7KD9
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![BU of 7kd9 by Molmil](/molmil-images/mine/7kd9) | Crystal Structure of Gallic Acid Decarboxylase from Arxula adeninivorans | Descriptor: | Gallate decarboxylase, POTASSIUM ION | Authors: | Zeug, M, Markovic, N, Iancu, C.V, Tripp, J, Oreb, M, Choe, J. | Deposit date: | 2020-10-08 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystal structures of non-oxidative decarboxylases reveal a new mechanism of action with a catalytic dyad and structural twists. Sci Rep, 11, 2021
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8SUO
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![BU of 8suo by Molmil](/molmil-images/mine/8suo) | BA.2/AZD1061/AZD3152 structure analysis | Descriptor: | AZD1061 heavy chain, AZD1061 light chain, AZD3152 heavy chain, ... | Authors: | Oganesyan, V, van Dyk, N, Dippel, A, Barnes, A, O'Connor, E. | Deposit date: | 2023-05-12 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | X-ray crystal structure of BA.2 RBD bound by two neutralizing antibodies To Be Published
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4WRH
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![BU of 4wrh by Molmil](/molmil-images/mine/4wrh) | AKR1C3 complexed with breakdown product of N-(tert-butyl)-2-(2-chloro-4-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-6-methoxyphenoxy)acetamide | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-tert-butylacetamide, 5-methyl-4H-1,2,4-triazole-3-thiol, ... | Authors: | Squire, C.J, Flanagan, J.U, Yosaatmadja, Y. | Deposit date: | 2014-10-24 | Release date: | 2014-11-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Breakdown product of N-(tert-butyl)-2-(2-chloro-4-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-6-methoxyphenoxy)acetamide trapped in active site of AKR1C3 To Be Published
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6RN5
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![BU of 6rn5 by Molmil](/molmil-images/mine/6rn5) | PptA from Streptomyces chartreusis | Descriptor: | CARBONATE ION, CHAD domain protein, CHLORIDE ION, ... | Authors: | Werten, S, Rustmeier, N.H, Hinrichs, W. | Deposit date: | 2019-05-08 | Release date: | 2019-06-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.037 Å) | Cite: | Structural and biochemical analysis of a phosin from Streptomyces chartreusis reveals a combined polyphosphate- and metal-binding fold. Febs Lett., 593, 2019
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8U0G
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![BU of 8u0g by Molmil](/molmil-images/mine/8u0g) | |
8U1J
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![BU of 8u1j by Molmil](/molmil-images/mine/8u1j) | |
3A5X
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![BU of 3a5x by Molmil](/molmil-images/mine/3a5x) | |
2MK6
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![BU of 2mk6 by Molmil](/molmil-images/mine/2mk6) | |
7K5V
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![BU of 7k5v by Molmil](/molmil-images/mine/7k5v) | OXA-48 bound by Compound 3.1 | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | Authors: | Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2020-09-17 | Release date: | 2021-12-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48. Acs Infect Dis., 7, 2021
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4X5Z
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![BU of 4x5z by Molmil](/molmil-images/mine/4x5z) | menin in complex with MI-136 | Descriptor: | 1,2-ETHANEDIOL, 5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ... | Authors: | Pollock, J, Borkin, D, Cierpicki, T, Grembecka, J. | Deposit date: | 2014-12-06 | Release date: | 2015-04-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Pharmacologic Inhibition of the Menin-MLL Interaction Blocks Progression of MLL Leukemia In Vivo. Cancer Cell, 27, 2015
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8CM8
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![BU of 8cm8 by Molmil](/molmil-images/mine/8cm8) | Galectin-8 N-terminal carbohydrate recognition domain in complex with 4-(bromophenyl)phthalazinone D-galactal ligand | Descriptor: | 4-(4-bromophenyl)-2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{H}-pyran-4-yl]oxymethyl]phthalazin-1-one, CHLORIDE ION, Galectin-8 | Authors: | Van Klaveren, S, Hakansson, M, Diehl, C, Nilsson, N.J. | Deposit date: | 2023-02-17 | Release date: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Halogenated Galactal-Phenylphthalazinone Hybrids as Highly Selective Galectin-8N Ligands To Be Published
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8V2T
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![BU of 8v2t by Molmil](/molmil-images/mine/8v2t) | Phosphoheptose isomerase GMHA from Burkholderia pseudomallei bound to inhibitor Mut148591 | Descriptor: | 1,5,6-trideoxy-6,6-difluoro-1-(N-hydroxyformamido)-6-phosphono-D-ribo-hexitol, CHLORIDE ION, Phosphoheptose isomerase, ... | Authors: | Junop, M.S, Brown, C, Szabla, R. | Deposit date: | 2023-11-23 | Release date: | 2023-12-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.402 Å) | Cite: | Potentiating Activity of GmhA Inhibitors on Gram-Negative Bacteria. J.Med.Chem., 67, 2024
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8V4J
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![BU of 8v4j by Molmil](/molmil-images/mine/8v4j) | Phosphoheptose isomerase GMHA from Burkholderia pseudomallei bound to inhibitor Mut148233 | Descriptor: | 1-deoxy-1-[formyl(hydroxy)amino]-5-O-phosphono-D-ribitol, CHLORIDE ION, Phosphoheptose isomerase, ... | Authors: | Junop, M.S, Brown, C, Szabla, R. | Deposit date: | 2023-11-29 | Release date: | 2023-12-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Potentiating Activity of GmhA Inhibitors on Gram-Negative Bacteria. J.Med.Chem., 67, 2024
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4XA7
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![BU of 4xa7 by Molmil](/molmil-images/mine/4xa7) | Soluble part of holo NqrC from V. harveyi | Descriptor: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, Na(+)-translocating NADH-quinone reductase subunit C | Authors: | Borshchevskiy, V, Round, E, Bertsova, Y, Polovinkin, V, Gushchin, I, Mishin, A, Kovalev, K, Kachalova, G, Popov, A, Bogachev, A, Gordeliy, V. | Deposit date: | 2014-12-12 | Release date: | 2015-03-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structural and Functional Investigation of Flavin Binding Center of the NqrC Subunit of Sodium-Translocating NADH:Quinone Oxidoreductase from Vibrio harveyi. Plos One, 10, 2015
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2M5K
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![BU of 2m5k by Molmil](/molmil-images/mine/2m5k) | Atomic-resolution structure of a doublet cross-beta amyloid fibril | Descriptor: | Transthyretin | Authors: | Fitzpatrick, A.W.P, Debelouchina, G.T, Bayro, M.J, Clare, D.K, Caporini, M.A, Bajaj, V.S, Jaroniec, C.P, Wang, L, Ladizhansky, V, Muller, S, MacPhee, C.E, Waudby, C.A, Mott, H.R, de Simone, A, Knowles, T.P.J, Saibil, H.R, Vendruscolo, M, Orlova, E.V, Griffin, R.G, Dobson, C.M. | Deposit date: | 2013-02-27 | Release date: | 2013-12-04 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (12.7 Å), SOLID-STATE NMR | Cite: | Atomic structure and hierarchical assembly of a cross-beta amyloid fibril. Proc.Natl.Acad.Sci.USA, 110, 2013
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2M5M
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![BU of 2m5m by Molmil](/molmil-images/mine/2m5m) | Atomic-resolution structure of a triplet cross-beta amyloid fibril | Descriptor: | Transthyretin | Authors: | Fitzpatrick, A.W.P, Debelouchina, G.T, Bayro, M.J, Clare, D.K, Caporini, M.A, Bajaj, V.S, Jaroniec, C.P, Wang, L, Ladizhansky, V, Muller, S, MacPhee, C.E, Waudby, C.A, Mott, H.R, de Simone, A, Knowles, T.P.J, Saibil, H.R, Vendruscolo, M, Orlova, E.V, Griffin, R.G, Dobson, C.M. | Deposit date: | 2013-02-27 | Release date: | 2013-12-04 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (12.2 Å), SOLID-STATE NMR | Cite: | Atomic structure and hierarchical assembly of a cross-beta amyloid fibril. Proc.Natl.Acad.Sci.USA, 110, 2013
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7JHQ
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![BU of 7jhq by Molmil](/molmil-images/mine/7jhq) | OXA-48 bound by Compound 2.3 | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase OXA-48, CHLORIDE ION, ... | Authors: | Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2020-07-21 | Release date: | 2021-12-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48. Acs Infect Dis., 7, 2021
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4X9V
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![BU of 4x9v by Molmil](/molmil-images/mine/4x9v) | PLK-1 polo-box domain in complex with Bioactive Imidazolium-containing phosphopeptide macrocycle 3C | Descriptor: | Phosphopeptide macrocycle 3C, Serine/threonine-protein kinase PLK1 | Authors: | Grant, R.A, Qian, W.-J, Yaffe, M.B, Burke, T.R. | Deposit date: | 2014-12-11 | Release date: | 2015-07-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.429 Å) | Cite: | Neighbor-directed histidine N ( tau )-alkylation: A route to imidazolium-containing phosphopeptide macrocycles. Biopolymers, 104, 2015
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