4YEY
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![BU of 4yey by Molmil](/molmil-images/mine/4yey) | HUaa-20bp | Descriptor: | DNA-binding protein HU-alpha, synthetic DNA strand | Authors: | Hammel, M, Reyes, F.E, Parpana, R, Tainer, J.A, Adhya, S, Amlanjyoti, D. | Deposit date: | 2015-02-24 | Release date: | 2016-06-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.354 Å) | Cite: | HU multimerization shift controls nucleoid compaction. Sci Adv, 2, 2016
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5G2M
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![BU of 5g2m by Molmil](/molmil-images/mine/5g2m) | Crystal structure of NagZ from Pseudomonas aeruginosa in complex with N-acetylglucosamine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-HEXOSAMINIDASE | Authors: | Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A. | Deposit date: | 2016-04-09 | Release date: | 2017-05-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa. J. Am. Chem. Soc., 139, 2017
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4YFH
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![BU of 4yfh by Molmil](/molmil-images/mine/4yfh) | HU38-20bp | Descriptor: | DNA-binding protein HU-alpha, synthetic DNA strand | Authors: | Hammel, M, Reyes, F.E, Parpana, R, Tainer, J.A, Adhya, S, Amlanjyoti, D. | Deposit date: | 2015-02-25 | Release date: | 2016-06-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.49 Å) | Cite: | HU multimerization shift controls nucleoid compaction. Sci Adv, 2, 2016
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5GAI
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![BU of 5gai by Molmil](/molmil-images/mine/5gai) | Probabilistic Structural Models of Mature P22 Bacteriophage Portal, Hub, and Tailspike proteins | Descriptor: | Peptidoglycan hydrolase gp4, Portal protein, Tail fiber protein | Authors: | Pintilie, G, Chen, D.H, Haase-Pettingell, C.A, King, J.A, Chiu, W. | Deposit date: | 2015-12-01 | Release date: | 2016-02-17 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (10.5 Å) | Cite: | Resolution and Probabilistic Models of Components in CryoEM Maps of Mature P22 Bacteriophage. Biophys.J., 110, 2016
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4Y62
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![BU of 4y62 by Molmil](/molmil-images/mine/4y62) | AAGlyB in complex with amino-acid analogues | Descriptor: | 5'-deoxy-5'-{[(2R)-3-hydroxy-2-(4-phenyl-1H-1,2,3-triazol-1-yl)propanoyl]amino}uridine, Histo-blood group ABO system transferase, octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside | Authors: | Wang, S, Cuesta-Seijo, J.A, Striebeck, A, Lafont, D, Palcic, M.M, Vidal, S. | Deposit date: | 2015-02-12 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Design of Glycosyltransferase Inhibitors: Serine Analogues as Pyrophosphate Surrogates? Chempluschem, 80, 2015
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6DAN
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![BU of 6dan by Molmil](/molmil-images/mine/6dan) | PhdJ WT 2 Angstroms resolution | Descriptor: | CHLORIDE ION, 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: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.047 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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6DLB
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![BU of 6dlb by Molmil](/molmil-images/mine/6dlb) | |
5GNB
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![BU of 5gnb by Molmil](/molmil-images/mine/5gnb) | Crystal Structure of the Receptor Binding Domain of the Spike Glycoprotein of Human Betacoronavirus HKU1 (HKU1 1A-CTD, 2.3 angstrom, native-SAD phasing) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Guan, H, Wojdyla, J.A, Wang, M, Cui, S. | Deposit date: | 2016-07-20 | Release date: | 2017-06-07 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the receptor binding domain of the spike glycoprotein of human betacoronavirus HKU1 Nat Commun, 8, 2017
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6DF2
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4YC8
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![BU of 4yc8 by Molmil](/molmil-images/mine/4yc8) | C-Helix-Out Binding of Dasatinib Analog to c-Abl Kinase | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide, ... | Authors: | Kwarcinski, F.E, Brandvold, K.B, Johnson, T.J, Phadke, S, Meagher, J.L, Seeliger, M.A, Stuckey, J.A, Soellner, M.B. | Deposit date: | 2015-02-19 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Conformation-Selective Analogues of Dasatinib Reveal Insight into Kinase Inhibitor Binding and Selectivity. Acs Chem.Biol., 11, 2016
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4YF0
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![BU of 4yf0 by Molmil](/molmil-images/mine/4yf0) | HU38-19bp | Descriptor: | DNA-binding protein HU-alpha, synthetic DNA strand | Authors: | Hammel, M, Reyes, F.E, Parpana, R, Tainer, J.A, Adhya, S, Amlanjyoti, D. | Deposit date: | 2015-02-24 | Release date: | 2016-06-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | HU multimerization shift controls nucleoid compaction. Sci Adv, 2, 2016
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6FC4
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![BU of 6fc4 by Molmil](/molmil-images/mine/6fc4) | |
4YKR
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![BU of 4ykr by Molmil](/molmil-images/mine/4ykr) | Heat Shock Protein 90 Bound to CS302 | Descriptor: | 1-(2,4-dihydroxy-5-propylphenyl)-1,3-dihydro-2H-benzimidazol-2-one, GLYCEROL, Heat shock protein HSP 90-alpha | Authors: | Kang, Y.N, Stuckey, J.A. | Deposit date: | 2015-03-04 | Release date: | 2016-03-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structure of Heat Shock Protein 90 Bound to CS302 To Be Published
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6FCF
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![BU of 6fcf by Molmil](/molmil-images/mine/6fcf) | CHK1 KINASE IN COMPLEX WITH COMPOUND 44 | Descriptor: | 4-[[(2~{R},3~{S})-2-methylpiperidin-3-yl]amino]-2-phenyl-thieno[3,2-c]pyridine-7-carboxamide, SULFATE ION, Serine/threonine-protein kinase Chk1 | Authors: | Read, J.A, Breed, J. | Deposit date: | 2017-12-20 | Release date: | 2018-01-17 | Last modified: | 2018-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Adventures in Scaffold Morphing: Discovery of Fused Ring Heterocyclic Checkpoint Kinase 1 (CHK1) Inhibitors. J. Med. Chem., 61, 2018
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6FCQ
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![BU of 6fcq by Molmil](/molmil-images/mine/6fcq) | |
4YLE
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![BU of 4yle by Molmil](/molmil-images/mine/4yle) | Crystal structure of an ABC transpoter solute binding protein (IPR025997) from Burkholderia multivorans (Bmul_1631, Target EFI-511115) with an unknown ligand modelled as alpha-D-erythrofuranose | Descriptor: | Periplasmic binding protein/LacI transcriptional regulator, UNKNOWN LIGAND | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2015-03-05 | Release date: | 2015-04-15 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of an ABC transporter solute binding protein (IPR025997) from Burkholderia multivorans (Bmul_1631, Target EFI-511115) with an unknown ligand modelled as alpha-D-erythrofuranose To be published
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4YPX
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3DEQ
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![BU of 3deq by Molmil](/molmil-images/mine/3deq) | Crystal structure of dipeptide epimerase from Thermotoga maritima complexed with L-Ala-L-Leu dipeptide | Descriptor: | ALANINE, LEUCINE, MAGNESIUM ION, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Imker, H.J, Gerlt, J.A, Almo, S.C. | Deposit date: | 2008-06-10 | Release date: | 2008-11-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of a dipeptide epimerase enzymatic function guided by homology modeling and virtual screening. Structure, 16, 2008
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6FFH
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![BU of 6ffh by Molmil](/molmil-images/mine/6ffh) | Crystal Structure of mGluR5 in complex with Fenobam at 2.65 A | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(3-chlorophenyl)-3-(3-methyl-5-oxidanylidene-4~{H}-imidazol-2-yl)urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Christopher, J.A, Orgovan, Z, Congreve, M, Dore, A.S, Errey, J.C, Marshall, F.H, Mason, J.S, Okrasa, K, Rucktooa, P, Serrano-Vega, M.J, Ferenczy, G.G, Keseru, G.M. | Deposit date: | 2018-01-08 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure-Based Optimization Strategies for G Protein-Coupled Receptor (GPCR) Allosteric Modulators: A Case Study from Analyses of New Metabotropic Glutamate Receptor 5 (mGlu5) X-ray Structures. J.Med.Chem., 62, 2019
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3DI2
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4YQZ
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![BU of 4yqz by Molmil](/molmil-images/mine/4yqz) | Crystal Structure of a putative oxidoreductase from Thermus Thermophilus HB27 (TT_P0034, TARGET EFI-513932) in its APO form | Descriptor: | CHLORIDE ION, Putative oxidoreductase | Authors: | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2015-03-13 | Release date: | 2015-03-25 | Method: | X-RAY DIFFRACTION (1.807 Å) | Cite: | Crystal Structure of a putative oxidoreductase from Thermus Thermophilus HB27 (TT_P0034, TARGET EFI-513932) in its APO form To be published
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1YHH
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![BU of 1yhh by Molmil](/molmil-images/mine/1yhh) | |
6FCS
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![BU of 6fcs by Molmil](/molmil-images/mine/6fcs) | The X-ray Structure of Lytic Transglycosylase Slt inactive mutant E503Q from Pseudomonas aeruginosa in complex with NAG-NAMpentapeptide-NAG-NAMpentapeptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, ACETATE ION, ... | Authors: | Batuecas, M.T, Dominguez-Gil, T, Hermoso, J.A. | Deposit date: | 2017-12-21 | Release date: | 2018-04-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Exolytic and endolytic turnover of peptidoglycan by lytic transglycosylase Slt ofPseudomonas aeruginosa. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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3DDM
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![BU of 3ddm by Molmil](/molmil-images/mine/3ddm) | CRYSTAL STRUCTURE OF MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FROM Bordetella bronchiseptica RB50 | Descriptor: | Putative mandelate racemase/muconate lactonizing enzyme | Authors: | Fedorov, A.A, Fedorov, E.V, Toro, R, Gerlt, J.A, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-06-05 | Release date: | 2008-06-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | CRYSTAL STRUCTURE OF MANDELATE RACEMASE/MUCONATE
LACTONIZING ENZYME FROM Bordetella bronchiseptica RB50 To be Published
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4YM9
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![BU of 4ym9 by Molmil](/molmil-images/mine/4ym9) | Crystal structure of Porcine Pancreatic Elastase (PPE) in complex with the novel inhibitor JM102 | Descriptor: | 2-ethyl-2-(hydroxymethyl)-N-(6-methylpyridin-3-yl)butanamide, ACETATE ION, Chymotrypsin-like elastase family member 1, ... | Authors: | Hofbauer, S, Brito, J.A, Mulchande, J, Nogly, P, Pessanha, M, Moreira, R, Archer, M. | Deposit date: | 2015-03-06 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Clickable 4-Oxo-beta-lactam-Based Selective Probing for Human Neutrophil Elastase Related Proteomes. ChemMedChem, 11, 2016
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