6ZJ9
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![BU of 6zj9 by Molmil](/molmil-images/mine/6zj9) | Crystal structure of Equus ferus caballus glutathione transferase A3-3 in complex with glutathione | Descriptor: | 1,2-ETHANEDIOL, GLUTATHIONE, Glutathione S-transferase | Authors: | Skerlova, J, Ismail, A, Lindstrom, H, Sjodin, B, Mannervik, B, Stenmark, P. | Deposit date: | 2020-06-28 | Release date: | 2020-11-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and functional analysis of the inhibition of equine glutathione transferase A3-3 by organotin endocrine disrupting pollutants. Environ Pollut, 268, 2021
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3UNJ
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![BU of 3unj by Molmil](/molmil-images/mine/3unj) | CDK2 in complex with inhibitor YL1-038-31 | Descriptor: | 4-{[4-(phenylamino)pyrimidin-2-yl]amino}benzoic acid, Cyclin-dependent kinase 2, PHOSPHATE ION | Authors: | Zhu, J.-Y, Martin, M.P, Alam, R, Schonbrunn, E. | Deposit date: | 2011-11-15 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9001 Å) | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A. Acs Chem.Biol., 7, 2012
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6ZJD
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![BU of 6zjd by Molmil](/molmil-images/mine/6zjd) | Crystal structure of human adenylate kinase 3, AK3, in complex with inhibitor ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, GTP:AMP phosphotransferase AK3, ... | Authors: | Grundstrom, C, Rogne, P, Wolf-Watz, M, Sauer-Eriksson, A.E. | Deposit date: | 2020-06-28 | Release date: | 2020-09-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis for GTP versus ATP Selectivity in the NMP Kinase AK3. Biochemistry, 59, 2020
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7LZB
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![BU of 7lzb by Molmil](/molmil-images/mine/7lzb) | Crystal Structure of SETD2 bound to Compound 2 | Descriptor: | BETA-MERCAPTOETHANOL, Histone-lysine N-methyltransferase SETD2, N-[(1r,4r)-4-(beta-alanylamino)cyclohexyl]-7-methyl-1H-indole-2-carboxamide, ... | Authors: | Farrow, N.A, Boriack-Sjodin, P. | Deposit date: | 2021-03-09 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Discovery of a First-in-Class Inhibitor of the Histone Methyltransferase SETD2 Suitable for Preclinical Studies. Acs Med.Chem.Lett., 12, 2021
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6YVU
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![BU of 6yvu by Molmil](/molmil-images/mine/6yvu) | Condensin complex from S.cerevisiae ATP-free apo non-engaged state | Descriptor: | Condensin complex subunit 1,Condensin complex subunit 1,Ycs4, Condensin complex subunit 2,Condensin complex subunit 2,Brn1, Structural maintenance of chromosomes protein 2,Structural maintenance of chromosomes protein 2,Smc2, ... | Authors: | Lee, B.-G, Cawood, C, Gutierrez-Escribano, P, Nakane, T, Merkel, F, Hassler, M, Aragon, L, Haering, C.H, Lowe, J. | Deposit date: | 2020-04-28 | Release date: | 2020-07-15 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (7.5 Å) | Cite: | Cryo-EM structures of holo condensin reveal a subunit flip-flop mechanism. Nat.Struct.Mol.Biol., 27, 2020
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3H5C
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![BU of 3h5c by Molmil](/molmil-images/mine/3h5c) | X-Ray Structure of Protein Z-Protein Z Inhibitor Complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein Z-dependent protease inhibitor, Vitamin K-dependent protein Z, ... | Authors: | Dementiev, A.A, Huang, X, Olson, S.T, Gettins, P.G.W. | Deposit date: | 2009-04-21 | Release date: | 2010-04-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.26 Å) | Cite: | Basis for the specificity and activation of the serpin protein Z-dependent proteinase inhibitor (ZPI) as an inhibitor of membrane-associated factor Xa. J.Biol.Chem., 285, 2010
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7LZF
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![BU of 7lzf by Molmil](/molmil-images/mine/7lzf) | Crystal Structure of SETD2 bound to Compound 57 | Descriptor: | 1,2-ETHANEDIOL, 4-fluoro-N-[(1R,3S)-3-{(3S)-3-[(methanesulfonyl)(methyl)amino]pyrrolidin-1-yl}cyclohexyl]-7-methyl-1H-indole-2-carboxamide, Histone-lysine N-methyltransferase SETD2, ... | Authors: | Farrow, N.A, Boriack-Sjodin, P. | Deposit date: | 2021-03-09 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Discovery of a First-in-Class Inhibitor of the Histone Methyltransferase SETD2 Suitable for Preclinical Studies. Acs Med.Chem.Lett., 12, 2021
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6DAQ
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![BU of 6daq by Molmil](/molmil-images/mine/6daq) | PhdJ bound to substrate intermediate | Descriptor: | PhdJ | Authors: | Medellin, B.P, LeVieux, J.A, Zhang, Y.J, Whitman, C.P. | Deposit date: | 2018-05-01 | Release date: | 2019-04-10 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Characterization of the Hydratase-Aldolases, NahE and PhdJ: Implications for the Specificity, Catalysis, and N-Acetylneuraminate Lyase Subgroup of the Aldolase Superfamily. Biochemistry, 57, 2018
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6Z24
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4O5L
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![BU of 4o5l by Molmil](/molmil-images/mine/4o5l) | Crystal structure of broadly neutralizing antibody F045-092 | Descriptor: | Fab F045-092 heavy chain, Fab F045-092 light chain, PHOSPHATE ION | Authors: | Lee, P.S, Wilson, I.A. | Deposit date: | 2013-12-19 | Release date: | 2014-04-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5045 Å) | Cite: | Receptor mimicry by antibody F045-092 facilitates universal binding to the H3 subtype of influenza virus. Nat Commun, 5, 2014
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6Z5D
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![BU of 6z5d by Molmil](/molmil-images/mine/6z5d) | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004082 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 11-methyl-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one, DIMETHYL SULFOXIDE, ... | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-26 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004082 To Be Published
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6QGA
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![BU of 6qga by Molmil](/molmil-images/mine/6qga) | Crystal structure of Ideonella sakaiensis MHETase bound to the non-hydrolyzable ligand MHETA | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-hydroxyethylcarbamoyl)benzoic acid, CALCIUM ION, ... | Authors: | Palm, G.J, Reisky, L, Boettcher, D, Mueller, H, Michels, E.A.P, Walczak, C, Berndt, L, Weiss, M.S, Bornscheuer, U.T, Weber, G. | Deposit date: | 2019-01-10 | Release date: | 2019-04-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the plastic-degrading Ideonella sakaiensis MHETase bound to a substrate. Nat Commun, 10, 2019
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8E2R
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![BU of 8e2r by Molmil](/molmil-images/mine/8e2r) | Crystal structure of TadAC-1.14 | Descriptor: | GLYCEROL, ZINC ION, tRNA-specific adenosine deaminase 1.14 | Authors: | Feliciano, P.R, Lee, S.J, Ciaramella, G. | Deposit date: | 2022-08-15 | Release date: | 2023-01-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Improved cytosine base editors generated from TadA variants. Nat.Biotechnol., 41, 2023
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2FY1
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![BU of 2fy1 by Molmil](/molmil-images/mine/2fy1) | A dual mode of RNA recognition by the RBMY protein | Descriptor: | RNA-binding motif protein, Y chromosome, family 1 member A1, ... | Authors: | Skrisovska, L, Bourgois, C, Stefl, R, Kister, L, Wenter, P, Elliot, D, Stevenin, J, Allain, F.H.T. | Deposit date: | 2006-02-07 | Release date: | 2007-02-06 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The testis-specific human protein RBMY recognizes RNA through a novel mode of interaction. EMBO Rep., 8, 2007
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6ZHJ
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![BU of 6zhj by Molmil](/molmil-images/mine/6zhj) | 3D electron diffraction structure of thermolysin from Bacillus thermoproteolyticus | Descriptor: | CALCIUM ION, Thermolysin, ZINC ION | Authors: | Blum, T, Housset, D, Clabbers, M.T.B, van Genderen, E, Schoehn, G, Ling, W.L, Abrahams, J.P. | Deposit date: | 2020-06-23 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | ELECTRON CRYSTALLOGRAPHY (3.26 Å) | Cite: | Statistically correcting dynamical electron scattering improves the refinement of protein nanocrystals, including charge refinement of coordinated metals. Acta Crystallogr D Struct Biol, 77, 2021
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6ZHN
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![BU of 6zhn by Molmil](/molmil-images/mine/6zhn) | 3D electron diffraction structure of thaumatin from Thaumatococcus daniellii | Descriptor: | CHLORIDE ION, Thaumatin-1 | Authors: | Blum, T, Housset, D, Clabbers, M.T.B, van Genderen, E, Schoehn, G, Ling, W.L, Abrahams, J.P. | Deposit date: | 2020-06-23 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | ELECTRON CRYSTALLOGRAPHY (2.76 Å) | Cite: | Statistically correcting dynamical electron scattering improves the refinement of protein nanocrystals, including charge refinement of coordinated metals. Acta Crystallogr D Struct Biol, 77, 2021
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5CU2
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![BU of 5cu2 by Molmil](/molmil-images/mine/5cu2) | Crystal structure of CK2alpha with 2-hydroxy-5-methylbenzoic acid and (methyl 4-((3-(3-chloro-4-(phenyl)benzylamino)propyl)amino)-4-oxobutanoat bound | Descriptor: | 2-hydroxy-5-methylbenzoic acid, ACETATE ION, Casein kinase II subunit alpha, ... | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | Deposit date: | 2015-07-24 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.705 Å) | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
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2G3N
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![BU of 2g3n by Molmil](/molmil-images/mine/2g3n) | Crystal structure of the Sulfolobus solfataricus alpha-glucosidase MalA in complex with beta-octyl-glucopyranoside | Descriptor: | Alpha-glucosidase, octyl beta-D-glucopyranoside | Authors: | Ernst, H.A, Lo Leggio, L, Willemoes, M, Leonard, G, Blum, P, Larsen, S. | Deposit date: | 2006-02-20 | Release date: | 2006-05-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structure of the Sulfolobus solfataricus alpha-Glucosidase: Implications for Domain Conservation and Substrate Recognition in GH31. J.Mol.Biol., 358, 2006
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3GSQ
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![BU of 3gsq by Molmil](/molmil-images/mine/3gsq) | Crystal structure of the binary complex between HLA-A2 and HCMV NLV-M5S peptide variant | Descriptor: | Beta-2-microglobulin, HCMV pp65 fragment 495-503, variant M5S (NLVPSVATV), ... | Authors: | Reiser, J.-B, Saulquin, X, Gras, S, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D. | Deposit date: | 2009-03-27 | Release date: | 2009-08-04 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope. J.Immunol., 183, 2009
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6QFT
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![BU of 6qft by Molmil](/molmil-images/mine/6qft) | Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidin 1b | Descriptor: | 1-[(3~{R})-3-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7 | Authors: | Wolle, P, Mueller, M.P, Rauh, D. | Deposit date: | 2019-01-10 | Release date: | 2019-05-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7). J.Med.Chem., 62, 2019
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3ULT
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![BU of 3ult by Molmil](/molmil-images/mine/3ult) | Crystal structure of an ice-binding protein from the perennial ryegrass, Lolium perenne | Descriptor: | 1,2-ETHANEDIOL, ETHANOL, Ice recrystallization inhibition protein-like protein | Authors: | Middleton, A.J, Faucher, F, Campbell, R.L, Davies, P.L. | Deposit date: | 2011-11-11 | Release date: | 2012-02-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Antifreeze protein from freeze-tolerant grass has a beta-roll fold with an irregularly structured ice-binding site. J.Mol.Biol., 416, 2012
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6DB6
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![BU of 6db6 by Molmil](/molmil-images/mine/6db6) | |
6QGB
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![BU of 6qgb by Molmil](/molmil-images/mine/6qgb) | Crystal structure of Ideonella sakaiensis MHETase bound to benzoic acid | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, BENZOIC ACID, CALCIUM ION, ... | Authors: | Palm, G.J, Reisky, L, Boettcher, D, Mueller, H, Michels, E.A.P, Walczak, C, Berndt, L, Weiss, M.S, Bornscheuer, U.T, Weber, G. | Deposit date: | 2019-01-10 | Release date: | 2019-04-03 | Last modified: | 2019-04-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the plastic-degrading Ideonella sakaiensis MHETase bound to a substrate. Nat Commun, 10, 2019
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6YZL
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![BU of 6yzl by Molmil](/molmil-images/mine/6yzl) | Closo-carborane methyl-sulfonamide in complex with CA IX mimic | Descriptor: | Carbonic anhydrase 2, Carborane methyl-sulfonamide, ZINC ION | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | Deposit date: | 2020-05-07 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX. J Enzyme Inhib Med Chem, 35, 2020
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6YZP
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![BU of 6yzp by Molmil](/molmil-images/mine/6yzp) | Carborane nido-hexyl-sulfonamide in complex with CA IX mimic | Descriptor: | Carbonic anhydrase 2, Carborane nido-hexyl-sulfonamide, ZINC ION | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | Deposit date: | 2020-05-07 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX. J Enzyme Inhib Med Chem, 35, 2020
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