3IIM
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![BU of 3iim by Molmil](/molmil-images/mine/3iim) | The structure of hCINAP-dADP complex at 2.0 angstroms resolution | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Zographos, S.E, Drakou, C.E, Leonidas, D.D. | Deposit date: | 2009-08-02 | Release date: | 2010-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | hCINAP is an atypical mammalian nuclear adenylate kinase with an ATPase motif: Structural and functional studies. Proteins, 80, 2012
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3IIJ
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4G29
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3IIK
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3ITI
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![BU of 3iti by Molmil](/molmil-images/mine/3iti) | Structure of bovine trypsin with the MAD triangle B3C | Descriptor: | 5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid, BENZAMIDINE, CALCIUM ION, ... | Authors: | Beck, T, da Cunha, C.E, Sheldrick, G.M. | Deposit date: | 2009-08-28 | Release date: | 2009-10-27 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | How to get the magic triangle and the MAD triangle into your protein crystal. Acta Crystallogr.,Sect.F, 65, 2009
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4CKL
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![BU of 4ckl by Molmil](/molmil-images/mine/4ckl) | Structure of 55 kDa N-terminal domain of E. coli DNA gyrase A subunit with simocyclinone D8 bound | Descriptor: | DNA GYRASE SUBUNIT A, SIMOCYCLINONE D8 | Authors: | Hearnshaw, S.J, Edwards, M.J, Stevenson, C.E.M, Lawson, D.M, Maxwell, A. | Deposit date: | 2014-01-07 | Release date: | 2014-03-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | A New Crystal Structure of the Bifunctional Antibiotic Simocyclinone D8 Bound to DNA Gyrase Gives Fresh Insight Into the Mechanism of Inhibition. J.Mol.Biol., 426, 2014
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7PYR
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![BU of 7pyr by Molmil](/molmil-images/mine/7pyr) | Crystal structure of the adenosine A2A receptor (A2A-PSB1-bRIL) in complex with preladenant conjugate PSB-2115 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[5-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]pentyl]ethanamide, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | Authors: | Claff, T, Klapschinski, T.A, Tiruttani Subhramanyam, U.K, Vaassen, V.J, Schlegel, J.G, Vielmuth, C, Voss, J.H, Labahn, J, Muller, C.E. | Deposit date: | 2021-10-11 | Release date: | 2022-03-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Single Stabilizing Point Mutation Enables High-Resolution Co-Crystal Structures of the Adenosine A 2A Receptor with Preladenant Conjugates. Angew.Chem.Int.Ed.Engl., 61, 2022
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7PX4
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![BU of 7px4 by Molmil](/molmil-images/mine/7px4) | Crystal structure of the adenosine A2A receptor (A2A-PSB1-bRIL) in complex with preladenant conjugate PSB-2113 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | Authors: | Claff, T, Klapschinski, T.A, Tiruttani Subhramanyam, U.K, Vaassen, V.J, Schlegel, J.G, Vielmuth, C, Voss, J.H, Labahn, J, Muller, C.E. | Deposit date: | 2021-10-07 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Single Stabilizing Point Mutation Enables High-Resolution Co-Crystal Structures of the Adenosine A 2A Receptor with Preladenant Conjugates. Angew.Chem.Int.Ed.Engl., 61, 2022
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3IOQ
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![BU of 3ioq by Molmil](/molmil-images/mine/3ioq) | Crystal structure of the Carica candamarcensis cysteine protease CMS1MS2 in complex with E-64. | Descriptor: | 1,2-ETHANEDIOL, CMS1MS2, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, ... | Authors: | Gomes, M.T.R, Teixeira, R.D, Salas, C.E, Nagem, R.A.P. | Deposit date: | 2009-08-14 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal structure of the Carica candamarcensis cysteine protease CMS1MS2 in complex with E-64 To be Published
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3IEC
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4G2B
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4G6T
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![BU of 4g6t by Molmil](/molmil-images/mine/4g6t) | Structure of the HopA1-SchA Chaperone-Effector Complex | Descriptor: | Type III chaperone protein ShcA, Type III effector HopA1 | Authors: | Stebbins, C.E, Janjusevic, R, Quezada, C.M. | Deposit date: | 2012-07-19 | Release date: | 2013-06-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structure of the HopA1(21-102)-ShcA chaperone-effector complex of Pseudomonas syringae reveals conservation of a virulence factor binding motif from animal to plant pathogens. J.Bacteriol., 195, 2013
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4COT
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![BU of 4cot by Molmil](/molmil-images/mine/4cot) | The importance of the Abn2 calcium cluster in the endo-1,5- arabinanase activity from Bacillus subtilis | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, EXTRACELLULAR ENDO-ALPHA-(1->5)-L-ARABINANASE 2, NICKEL (II) ION | Authors: | McVey, C.E, Ferreira, M.J, Correia, B, Lahiri, S, deSanctis, D, Carrondo, M.A, Lindley, P.F, de Sa-Nogueira, I, Soares, C.M, Bento, I. | Deposit date: | 2014-01-31 | Release date: | 2014-03-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Importance of the Abn2 Calcium Cluster in the Endo-1,5-Arabinanase Activity from Bacillus Subtilis. J.Biol.Inorg.Chem., 19, 2014
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3IIL
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![BU of 3iil by Molmil](/molmil-images/mine/3iil) | The structure of hCINAP-MgADP-Pi complex at 2.0 angstroms resolution | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Coilin-interacting nuclear ATPase protein, LITHIUM ION, ... | Authors: | Zographos, S.E, Drakou, C.E, Leonidas, D.D. | Deposit date: | 2009-08-02 | Release date: | 2010-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | hCINAP is an atypical mammalian nuclear adenylate kinase with an ATPase motif: Structural and functional studies. Proteins, 80, 2012
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5TCE
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7PTF
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![BU of 7ptf by Molmil](/molmil-images/mine/7ptf) | Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with novobiocin | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA gyrase subunit B, ... | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | Deposit date: | 2021-09-27 | Release date: | 2022-10-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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4CSB
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![BU of 4csb by Molmil](/molmil-images/mine/4csb) | Structure of the Virulence-Associated Protein VapD from the intracellular pathogen Rhodococcus equi. | Descriptor: | VIRULENCE ASSOCIATED PROTEIN VAPD, octyl beta-D-glucopyranoside | Authors: | Whittingham, J.L, Blagova, E.V, Finn, C.E, Luo, H, Miranda-CasoLuengo, R, Turkenburg, J.P, Leech, A.P, Walton, P.H, Meijers, W.G, Wilkinson, A.J. | Deposit date: | 2014-03-06 | Release date: | 2014-04-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the Virulence-Associated Protein Vapd from the Intracellular Pathogen Rhodococcus Equi. Acta Crystallogr.,Sect.D, 70, 2014
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7PTG
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![BU of 7ptg by Molmil](/molmil-images/mine/7ptg) | Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL2888 | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | Deposit date: | 2021-09-27 | Release date: | 2022-10-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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7PQI
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![BU of 7pqi by Molmil](/molmil-images/mine/7pqi) | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with novobiocin | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, NOVOBIOCIN | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | Deposit date: | 2021-09-17 | Release date: | 2022-09-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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7PQM
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![BU of 7pqm by Molmil](/molmil-images/mine/7pqm) | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2888 | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, DNA gyrase subunit B | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | Deposit date: | 2021-09-17 | Release date: | 2022-09-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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7PQL
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![BU of 7pql by Molmil](/molmil-images/mine/7pql) | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2704 | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1R)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | Deposit date: | 2021-09-17 | Release date: | 2022-09-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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4HMD
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![BU of 4hmd by Molmil](/molmil-images/mine/4hmd) | Crystal structure of cold-adapted chitinase from Moritella marina with a reaction intermediate - oxazolinium ion (NGO) | Descriptor: | 2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-OXAZOLE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase 60, ... | Authors: | Malecki, P.H, Vorgias, C.E, Raczynska, J.E, Rypniewski, W. | Deposit date: | 2012-10-18 | Release date: | 2013-05-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structure of a complete four-domain chitinase from Moritella marina, a marine psychrophilic bacterium Acta Crystallogr.,Sect.D, 69, 2013
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4HME
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![BU of 4hme by Molmil](/molmil-images/mine/4hme) | Crystal structure of cold-adapted chitinase from Moritella marina with a reaction product - NAG2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase 60, GLYCEROL, ... | Authors: | Malecki, P.H, Vorgias, C.E, Raczynska, J.E, Rypniewski, W. | Deposit date: | 2012-10-18 | Release date: | 2013-05-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structure of a complete four-domain chitinase from Moritella marina, a marine psychrophilic bacterium Acta Crystallogr.,Sect.D, 69, 2013
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4BTE
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![BU of 4bte by Molmil](/molmil-images/mine/4bte) | DJ-1 Cu(I) complex | Descriptor: | COPPER (I) ION, PROTEIN DJ-1 | Authors: | Puno, M.R.A, Odell, M, Moody, P.C.E. | Deposit date: | 2013-06-14 | Release date: | 2013-11-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Structure of Cu(I)-Bound Dj-1 Reveals a Biscysteinate Metal Binding Site at the Homodimer Interface: Insights Into Mutational Inactivation of Dj-1 in Parkinsonism. J.Am.Chem.Soc., 135, 2013
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5UCO
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![BU of 5uco by Molmil](/molmil-images/mine/5uco) | |