6HPW
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![BU of 6hpw by Molmil](/molmil-images/mine/6hpw) | Crystal structure of ENL (MLLT1) in complex with compound 20 | Descriptor: | 1,2-ETHANEDIOL, 3-iodanyl-4-methyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide, Protein ENL | Authors: | Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-09-22 | Release date: | 2018-11-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL). J.Med.Chem., 61, 2018
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5FXP
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![BU of 5fxp by Molmil](/molmil-images/mine/5fxp) | Crystal structure of eugenol oxidase in complex with vanillin | Descriptor: | 4-hydroxy-3-methoxybenzaldehyde, EUGENOL OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Nguyen, Q.-T, de Gonzalo, G, Binda, C, Martinez, A.R, Mattevi, A, Fraaije, M.W. | Deposit date: | 2016-03-02 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Biocatalytic Properties and Structural Analysis of Eugenol Oxidase from Rhodococcus Jostii Rha1: A Versatile Oxidative Biocatalyst. Chembiochem, 17, 2016
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5K04
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![BU of 5k04 by Molmil](/molmil-images/mine/5k04) | The NatB Acetyltransferase Complex Bound To CoA and MES | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COENZYME A, N-terminal acetyltransferase B complex subunit NAT3, ... | Authors: | Hong, H, Cai, Y, Zhang, S, Han, A. | Deposit date: | 2016-05-17 | Release date: | 2017-04-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular Basis of Substrate Specific Acetylation by N-Terminal Acetyltransferase NatB Structure, 25, 2017
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5G0U
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![BU of 5g0u by Molmil](/molmil-images/mine/5g0u) | InhA in complex with a DNA encoded library hit | Descriptor: | 5-[(4-fluoranyl-3-phenoxy-phenyl)methylamino]-~{N}-methyl-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Read, J.A, Breed, J. | Deposit date: | 2016-03-22 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology Proc.Natl.Acad.Sci.USA, 113, 2016
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6HSQ
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![BU of 6hsq by Molmil](/molmil-images/mine/6hsq) | |
5KD2
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![BU of 5kd2 by Molmil](/molmil-images/mine/5kd2) | |
5KDJ
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![BU of 5kdj by Molmil](/molmil-images/mine/5kdj) | ZmpB metallopeptidase from Clostridium perfringens | Descriptor: | F5/8 type C domain protein, GLYCEROL, SODIUM ION, ... | Authors: | Noach, I, Ficko-Blean, E, Stuart, C, Boraston, A.B. | Deposit date: | 2016-06-08 | Release date: | 2017-01-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Recognition of protein-linked glycans as a determinant of peptidase activity. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6HT0
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![BU of 6ht0 by Molmil](/molmil-images/mine/6ht0) | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with compound 94 | Descriptor: | 1,2-ETHANEDIOL, 1-cyclopropyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide, Protein ENL, ... | Authors: | Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-10-02 | Release date: | 2018-10-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of an MLLT1/3 YEATS Domain Chemical Probe. Angew. Chem. Int. Ed. Engl., 57, 2018
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6XFS
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![BU of 6xfs by Molmil](/molmil-images/mine/6xfs) | Class C beta-lactamase from Escherichia coli in complex with Tazobactam | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-06-16 | Release date: | 2020-07-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Class C beta-lactamase from Escherichia coli in complex with Tazobactam To Be Published
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4QRN
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![BU of 4qrn by Molmil](/molmil-images/mine/4qrn) | HIGH-RESOLUTION CRYSTAL STRUCTURE of 5-CARBOXYVANILLATE DECARBOXYLASE (TARGET EFI-505250) FROM NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 COMPLEXED WITH MANGANESE AND 4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID | Descriptor: | 4-hydroxy-3-methoxy-5-nitrobenzoic acid, 5-Carboxyvanillate Decarboxylase, ACETATE ION, ... | Authors: | Patskovsky, Y, Vladimirova, A, Toro, R, Bhosle, R, Gerlt, J.A, Raushel, F.M, Almo, S.C. | Deposit date: | 2014-07-01 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Crystal Structure of 5-Carboxyvanillate Decarboxylase from Novosphingobium Aromaticivorans To be Published
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5FSW
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![BU of 5fsw by Molmil](/molmil-images/mine/5fsw) | RNA dependent RNA polymerase QDE-1 from Thielavia terrestris | Descriptor: | RNA DEPENDENT RNA POLYMERASE QDE-1 | Authors: | Qian, X, Hamid, F.M, El Sahili, A, Darwis, D.A, Wong, Y.H, Bhushan, S, Makeyev, E.V, Lescar, J. | Deposit date: | 2016-01-08 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Functional Evolution in Orthologous Cell-Encoded RNA-Dependent RNA Polymerases J.Biol.Chem., 291, 2016
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7LRH
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![BU of 7lrh by Molmil](/molmil-images/mine/7lrh) | C-terminal domain of RibD from Brucella abortus (5-amino-6-ribosylamino-2,4(1H,3H)-pyrimidinedione 5'-phosphate reductase) | Descriptor: | Riboflavin biosynthesis protein RibD, SULFATE ION | Authors: | Bonomi, H.R, Cerutti, M.L, Posadas, D.M, Goldbaum, F.A, Klinke, S. | Deposit date: | 2021-02-16 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | C-terminal domain of RibD from Brucella abortus (5-amino-6-ribosylamino-2,4(1H,3H)-pyrimidinedione 5'-phosphate reductase) To be published
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4QUL
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![BU of 4qul by Molmil](/molmil-images/mine/4qul) | Caspase-3 F55W | Descriptor: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, Caspase-3 | Authors: | Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. | Deposit date: | 2014-07-10 | Release date: | 2014-11-05 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
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6XBR
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![BU of 6xbr by Molmil](/molmil-images/mine/6xbr) | Streptomyces coelicolor methylmalonyl-CoA epimerase (E43L) in complex with 2-nitronate-propionyl-CoA | Descriptor: | AMMONIUM ION, CHLORIDE ION, COBALT (II) ION, ... | Authors: | Stunkard, L.M, Boram, T.J, Benjamin, A.B, Bower, J.B, Lohman, J.R. | Deposit date: | 2020-06-07 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Streptomyces coelicolor methylmalonyl-CoA epimerase (E43L) in complex with 2-nitronate-propionyl-CoA To Be Published
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4XR8
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![BU of 4xr8 by Molmil](/molmil-images/mine/4xr8) | Crystal structure of the HPV16 E6/E6AP/p53 ternary complex at 2.25 A resolution | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, DI(HYDROXYETHYL)ETHER, ... | Authors: | Martinez-Zapien, D, Ruiz, F.X, Mitschler, A, Podjarny, A, Trave, G, Zanier, K. | Deposit date: | 2015-01-20 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure of the E6/E6AP/p53 complex required for HPV-mediated degradation of p53. Nature, 529, 2016
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6XBV
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![BU of 6xbv by Molmil](/molmil-images/mine/6xbv) | Streptomyces coelicolor methylmalonyl-CoA epimerase (S115T) in complex with 2-nitronate-propionyl-CoA | Descriptor: | CHLORIDE ION, COBALT (II) ION, Methylmalonyl-CoA epimerase, ... | Authors: | Stunkard, L.M, Boram, T.J, Benjamin, A.B, Bower, J.B, Lohman, J.R. | Deposit date: | 2020-06-07 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Streptomyces coelicolor methylmalonyl-CoA epimerase (S115T) in complex with 2-nitronate-propionyl-CoA To Be Published
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6E0I
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![BU of 6e0i by Molmil](/molmil-images/mine/6e0i) | Crystal structure of Glucokinase in complex with compound 72 | Descriptor: | 1-{4-[5-({3-[(2-methylpyridin-3-yl)oxy]-5-[(pyridin-2-yl)sulfanyl]pyridin-2-yl}amino)-1,2,4-thiadiazol-3-yl]piperidin-1 -yl}ethan-1-one, DIMETHYL SULFOXIDE, Glucokinase, ... | Authors: | Hinklin, R.J, Baer, B.R, Boyd, S.A, Chicarelli, M.D, Condroski, K.R, DeWolf, W.E, Fischer, J, Frank, M, Hingorani, G.P, Lee, P.A, Neitzel, N.A, Pratt, S.A, Singh, A, Sullivan, F.X, Turner, T, Voegtli, W.C, Wallace, E.M, Williams, L, Aicher, T.D. | Deposit date: | 2018-07-06 | Release date: | 2019-07-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and preclinical development of AR453588 as an anti-diabetic glucokinase activator. Bioorg.Med.Chem., 28, 2020
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7LZR
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![BU of 7lzr by Molmil](/molmil-images/mine/7lzr) | |
6XBZ
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![BU of 6xbz by Molmil](/molmil-images/mine/6xbz) | Structure of the human CDK-activating kinase | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | Authors: | Greber, B.J, Perez-Bertoldi, J.M, Lim, K, Iavarone, A.T, Toso, D.B, Nogales, E. | Deposit date: | 2020-06-07 | Release date: | 2020-09-09 | Last modified: | 2020-09-30 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | The cryoelectron microscopy structure of the human CDK-activating kinase. Proc.Natl.Acad.Sci.USA, 117, 2020
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6RNN
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![BU of 6rnn by Molmil](/molmil-images/mine/6rnn) | P46, an immunodominant surface protein from Mycoplasma hyopneumoniae | Descriptor: | Immunoglobulin heavy chain, Immunoglobulin light chain | Authors: | Guasch, A, Gonzalez-Gonzalez, L, Fita, I. | Deposit date: | 2019-05-09 | Release date: | 2019-11-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of P46, an immunodominant surface protein from Mycoplasma hyopneumoniae: interaction with a monoclonal antibody. Acta Crystallogr D Struct Biol, 76, 2020
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6RRR
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![BU of 6rrr by Molmil](/molmil-images/mine/6rrr) | Crystal structure of the tyrosinase PvdP from Pseudomonas aeruginosa | Descriptor: | GLYCEROL, PvdP | Authors: | Wibowo, J.P, Batista, F.A, van Oosterwijk, N, Groves, M.R, Dekker, F.J, Quax, W.J. | Deposit date: | 2019-05-20 | Release date: | 2020-04-15 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | A novel mechanism of inhibition by phenylthiourea on PvdP, a tyrosinase synthesizing pyoverdine of Pseudomonas aeruginosa. Int.J.Biol.Macromol., 146, 2020
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5GG6
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![BU of 5gg6 by Molmil](/molmil-images/mine/5gg6) | Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-dGTP | Descriptor: | 1,2-ETHANEDIOL, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | Authors: | Arif, S.M, Patil, A.G, Varshney, U, Vijayan, M. | Deposit date: | 2016-06-15 | Release date: | 2017-04-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Biochemical and structural studies of Mycobacterium smegmatis MutT1, a sanitization enzyme with unusual modes of association Acta Crystallogr D Struct Biol, 73, 2017
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5KHQ
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![BU of 5khq by Molmil](/molmil-images/mine/5khq) | Rasip1 RA domain | Descriptor: | GLYCEROL, Ras-interacting protein 1 | Authors: | Gingras, A.R. | Deposit date: | 2016-06-15 | Release date: | 2016-10-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis of Dimeric Rasip1 RA Domain Recognition of the Ras Subfamily of GTP-Binding Proteins. Structure, 24, 2016
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4QXT
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![BU of 4qxt by Molmil](/molmil-images/mine/4qxt) | Crystal Structure of anti-MSP2 Fv fragment (mAb6D8)in complex with FC27-MSP2 14-30 | Descriptor: | Fv fragment(mAb6D8) heavy chain, Fv fragment(mAb6D8) light chain, Merozoite surface antigen 2 | Authors: | Morales, R.A.V, MacRaild, C.A, Seow, J, Bankala, K, Drinkwater, N, McGowan, S, Rouet, R, Christ, D, Anders, R.F, Norton, R.S. | Deposit date: | 2014-07-22 | Release date: | 2015-06-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural basis for epitope masking and strain specificity of a conserved epitope in an intrinsically disordered malaria vaccine candidate. Sci Rep, 5, 2015
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4R2N
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![BU of 4r2n by Molmil](/molmil-images/mine/4r2n) | Crystal structure of Rv3772 in complex with its substrate | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PHENYLALANINE, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Nasir, N, Anant, A, Vyas, R, Biswal, B.K. | Deposit date: | 2014-08-12 | Release date: | 2015-08-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal structures of Mycobacterium tuberculosis HspAT and ArAT reveal structural basis of their distinct substrate specificities Sci Rep, 6, 2016
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