3UVA
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![BU of 3uva by Molmil](/molmil-images/mine/3uva) | Crystal structure of L-rhamnose isomerase mutant W38F from Bacillus halodurans in complex with Mn | Descriptor: | L-Rhamnose isomerase, MANGANESE (II) ION | Authors: | Doan, T.T.N, Prabhu, P, Jeya, M, Kim, J.K, Kang, L.W, Lee, J.K. | Deposit date: | 2011-11-29 | Release date: | 2012-12-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Structure-based studies on the metal binding of two-metal-dependent sugar isomerases. Febs J., 281, 2014
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2AVJ
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![BU of 2avj by Molmil](/molmil-images/mine/2avj) | G4(Br)UTTG4 dimeric quadruplex | Descriptor: | 5'-D(*GP*GP*GP*GP*(BRU)P*TP*TP*GP*GP*GP*G)-3', CACODYLATE ION, POTASSIUM ION | Authors: | Hazel, P, Parkinson, G.N, Neidle, S. | Deposit date: | 2005-08-30 | Release date: | 2006-03-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Topology variation and loop structural homology in crystal and simulated structures of a bimolecular DNA quadruplex. J.Am.Chem.Soc., 128, 2006
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3UN2
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![BU of 3un2 by Molmil](/molmil-images/mine/3un2) | Phosphopentomutase T85Q variant enzyme | Descriptor: | GLYCEROL, MANGANESE (II) ION, Phosphopentomutase | Authors: | Iverson, T.M, Birmingham, W.R, Panosian, T.D, Nannemann, D.P, Bachmann, B.O. | Deposit date: | 2011-11-15 | Release date: | 2012-02-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular Differences between a Mutase and a Phosphatase: Investigations of the Activation Step in Bacillus cereus Phosphopentomutase. Biochemistry, 51, 2012
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3UWN
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![BU of 3uwn by Molmil](/molmil-images/mine/3uwn) | The 3-MBT repeat domain of L3MBTL1 in complex with a methyl-lysine mimic | Descriptor: | Lethal(3)malignant brain tumor-like protein 1, UNKNOWN ATOM OR ION, [2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone} | Authors: | Zhong, N, Tempel, W, Wernimont, A.K, Graslund, S, Ingerman, L.A, Korboukh, V, Kireev, D.B, Gao, C, Frye, S.V, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2011-12-02 | Release date: | 2012-03-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The 3-MBT repeat domain of L3MBTL1 in complex with a methyl-lysine mimic To be Published
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3QKD
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![BU of 3qkd by Molmil](/molmil-images/mine/3qkd) | Crystal structure of Bcl-xL in complex with a Quinazoline sulfonamide inhibitor | Descriptor: | (R)-N-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide, Bcl-2-like protein 1, CHLORIDE ION, ... | Authors: | Czabotar, P.E, Smith, B.J. | Deposit date: | 2011-01-31 | Release date: | 2011-04-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Quinazoline sulfonamides as dual binders of the proteins B-cell lymphoma 2 and B-cell lymphoma extra long with potent proapoptotic cell-based activity. J.Med.Chem., 54, 2011
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8K37
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![BU of 8k37 by Molmil](/molmil-images/mine/8k37) | Structure of the bacteriophage lambda neck | Descriptor: | Head-tail connector protein FII, Tail tube protein, Tail tube terminator protein | Authors: | Xiao, H, Tan, L, Cheng, L.P, Liu, H.R. | Deposit date: | 2023-07-14 | Release date: | 2023-11-15 | Last modified: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure of the siphophage neck-Tail complex suggests that conserved tail tip proteins facilitate receptor binding and tail assembly. Plos Biol., 21, 2023
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2UW6
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![BU of 2uw6 by Molmil](/molmil-images/mine/2uw6) | Structure of PKA-PKB chimera complexed with (S)-2-(4-chloro-phenyl)- 2-(4-1H-pyrazol-4-yl)-phenyl)-ethylamine | Descriptor: | (2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | Authors: | Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. | Deposit date: | 2007-03-19 | Release date: | 2007-05-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery J.Med.Chem., 50, 2007
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2O8K
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![BU of 2o8k by Molmil](/molmil-images/mine/2o8k) | NMR Structure of the Sigma-54 RpoN Domain Bound to the-24 Promoter Element | Descriptor: | 5'-D(*GP*AP*AP*AP*CP*GP*TP*GP*CP*CP*AP*AP*AP*A)-3', 5'-D(*TP*TP*TP*TP*GP*GP*CP*AP*CP*GP*TP*TP*TP*C)-3', RNA polymerase sigma factor RpoN | Authors: | Doucleff, M, Pelton, J.G, Lee, P.S, Wemmer, D.E. | Deposit date: | 2006-12-12 | Release date: | 2007-07-17 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Structural basis of DNA recognition by the alternative sigma-factor, sigma54. J.Mol.Biol., 369, 2007
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3UP4
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![BU of 3up4 by Molmil](/molmil-images/mine/3up4) | Crystal Structure of OTEMO complex with FAD and NADP (form 3) | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OTEMO | Authors: | Shi, R, Matte, A, Cygler, M, Lau, P. | Deposit date: | 2011-11-17 | Release date: | 2012-02-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.804 Å) | Cite: | Cloning, Baeyer-Villiger biooxidations, and structures of the camphor pathway 2-oxo-{Delta}(3)-4,5,5-trimethylcyclopentenylacetyl-coenzyme A monooxygenase of Pseudomonas putida ATCC 17453. Appl.Environ.Microbiol., 78, 2012
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8K39
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![BU of 8k39 by Molmil](/molmil-images/mine/8k39) | Structure of the bacteriophage lambda portal vertex | Descriptor: | Major capsid protein, Portal protein B | Authors: | Xiao, H, Tan, L, Cheng, L.P, Liu, H.R. | Deposit date: | 2023-07-14 | Release date: | 2023-11-15 | Last modified: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structure of the siphophage neck-Tail complex suggests that conserved tail tip proteins facilitate receptor binding and tail assembly. Plos Biol., 21, 2023
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5AHO
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![BU of 5aho by Molmil](/molmil-images/mine/5aho) | Crystal structure of human 5' exonuclease Apollo | Descriptor: | 1,2-ETHANEDIOL, 5' EXONUCLEASE APOLLO, L(+)-TARTARIC ACID, ... | Authors: | Allerston, C.K, Vollmar, M, Krojer, T, Pike, A.C.W, Newman, J.A, Carpenter, E, Quigley, A, Mahajan, P, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Gileadi, O. | Deposit date: | 2015-02-06 | Release date: | 2015-02-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | The Structures of the Snm1A and Snm1B/Apollo Nuclease Domains Reveal a Potential Basis for Their Distinct DNA Processing Activities. Nucleic Acids Res., 43, 2015
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5NJG
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![BU of 5njg by Molmil](/molmil-images/mine/5njg) | Structure of an ABC transporter: part of the structure that could be built de novo | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3-Fab heavy chain, 5D3-Fab light chain, ... | Authors: | Taylor, N.M.I, Manolaridis, I, Jackson, S.M, Kowal, J, Stahlberg, H, Locher, K.P. | Deposit date: | 2017-03-28 | Release date: | 2017-06-07 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.78 Å) | Cite: | Structure of the human multidrug transporter ABCG2. Nature, 546, 2017
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2OAY
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![BU of 2oay by Molmil](/molmil-images/mine/2oay) | Crystal structure of latent human C1-inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Plasma protease C1 inhibitor | Authors: | Harmat, V, Beinrohr, L, Gal, P, Dobo, J. | Deposit date: | 2006-12-18 | Release date: | 2007-05-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | C1 inhibitor serpin domain structure reveals the likely mechanism of heparin potentiation and conformational disease J.Biol.Chem., 282, 2007
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1JDK
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![BU of 1jdk by Molmil](/molmil-images/mine/1jdk) | solution structure of lactam analogue (EDap) of HIV gp41 600-612 loop. | Descriptor: | ACETYL GROUP | Authors: | Phan Chan Du, A, Limal, D, Semetey, V, Dali, H, Jolivet, M, Desgranges, C, Cung, M.T, Briand, J.P, Petit, M.C, Muller, S. | Deposit date: | 2001-06-14 | Release date: | 2003-07-01 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein. J.Mol.Biol., 323, 2002
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3NXQ
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![BU of 3nxq by Molmil](/molmil-images/mine/3nxq) | Angiotensin Converting Enzyme N domain glycsoylation mutant (Ndom389) in complex with RXP407 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, CHLORIDE ION, ... | Authors: | Anthony, C.S, Corradi, H.R, Schwager, S.L.U, Redelinghuys, P, Georgiadis, D, Dive, V, Acharya, K.R, Sturrock, E.D. | Deposit date: | 2010-07-14 | Release date: | 2010-09-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | The N domain of human angiotensin-I-converting enzyme: the role of N-glycosylation and the crystal structure in complex with an N domain-specific phosphinic inhibitor, RXP407. J.Biol.Chem., 285, 2010
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7EXT
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![BU of 7ext by Molmil](/molmil-images/mine/7ext) | Cryo-EM structure of cyanobacterial phycobilisome from Synechococcus sp. PCC 7002 | Descriptor: | Allophycocyanin alpha subunit, Allophycocyanin beta subunit, Allophycocyanin subunit alpha-B, ... | Authors: | Zheng, L, Zheng, Z, Li, X, Wang, G, Zhang, K, Wei, P, Zhao, J, Gao, N. | Deposit date: | 2021-05-28 | Release date: | 2021-10-06 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural insight into the mechanism of energy transfer in cyanobacterial phycobilisomes. Nat Commun, 12, 2021
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2UW8
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![BU of 2uw8 by Molmil](/molmil-images/mine/2uw8) | Structure of PKA-PKB chimera complexed with 2-(4-chloro-phenyl)-2- phenyl-ethylamine | Descriptor: | (2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | Authors: | Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. | Deposit date: | 2007-03-19 | Release date: | 2007-05-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery. J.Med.Chem., 50, 2007
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5AAD
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![BU of 5aad by Molmil](/molmil-images/mine/5aad) | Aurora A kinase bound to an imidazopyridine inhibitor (7a) | Descriptor: | 7-(1-benzyl-1H-pyrazol-4-yl)-6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridine, AURORA KINASE A, SULFATE ION | Authors: | McIntyre, P.J, Kosmopoulou, M, Bayliss, R. | Deposit date: | 2015-07-24 | Release date: | 2015-09-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | 7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent. Bioorg.Med.Chem.Lett., 25, 2015
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7EYD
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![BU of 7eyd by Molmil](/molmil-images/mine/7eyd) | Cryo-EM structure of cyanobacterial phycobilisome from Anabaena sp. PCC 7120 | Descriptor: | Allophycocyanin subunit alpha 1, Allophycocyanin subunit alpha-B, Allophycocyanin subunit beta, ... | Authors: | Zheng, L, Zheng, Z, Li, X, Wang, G, Zhang, K, Wei, P, Zhao, J, Gao, N. | Deposit date: | 2021-05-30 | Release date: | 2021-10-06 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural insight into the mechanism of energy transfer in cyanobacterial phycobilisomes. Nat Commun, 12, 2021
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2UW3
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![BU of 2uw3 by Molmil](/molmil-images/mine/2uw3) | Structure of PKA-PKB chimera complexed with 5-methyl-4-phenyl-1H- pyrazole | Descriptor: | 3-METHYL-4-PHENYL-1H-PYRAZOLE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | Authors: | Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. | Deposit date: | 2007-03-19 | Release date: | 2007-05-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery J.Med.Chem., 50, 2007
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5NLM
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![BU of 5nlm by Molmil](/molmil-images/mine/5nlm) | Complex between a UDP-glucosyltransferase from Polygonum tinctorium capable of glucosylating indoxyl and indoxyl sulfate | Descriptor: | 3-SULFOOXY-1H-INDOLE, MAGNESIUM ION, indoxyl UDP-glucosyltransferase | Authors: | Welner, D.H, Hsu, T, Dueber, J, Adams, P.D. | Deposit date: | 2017-04-04 | Release date: | 2018-01-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Employing a biochemical protecting group for a sustainable indigo dyeing strategy. Nat. Chem. Biol., 14, 2018
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2UUY
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![BU of 2uuy by Molmil](/molmil-images/mine/2uuy) | Structure of a tick tryptase inhibitor in complex with bovine trypsin | Descriptor: | CALCIUM ION, CATIONIC TRYPSIN, CHLORIDE ION, ... | Authors: | Siebold, C, Paesen, G.C, Harlos, K, Peacey, M.F, Nuttall, P.A, Stuart, D.I. | Deposit date: | 2007-03-08 | Release date: | 2007-04-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | A Tick Protein with a Modified Kunitz Fold Inhibits Human Tryptase. J.Mol.Biol., 368, 2007
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8K3N
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![BU of 8k3n by Molmil](/molmil-images/mine/8k3n) | |
4EVY
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![BU of 4evy by Molmil](/molmil-images/mine/4evy) | Crystal structure of aminoglycoside antibiotic 6'-N-acetyltransferase AAC(6')-Ig from Acinetobacter haemolyticus in complex with tobramycin | Descriptor: | Aminoglycoside N(6')-acetyltransferase type 1, CHLORIDE ION, POTASSIUM ION, ... | Authors: | Stogios, P.J, Evdokimova, E, Minasov, G, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-04-26 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.768 Å) | Cite: | Structural and Biochemical Characterization of Acinetobacter spp. Aminoglycoside Acetyltransferases Highlights Functional and Evolutionary Variation among Antibiotic Resistance Enzymes. ACS Infect Dis., 3, 2017
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5NBD
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![BU of 5nbd by Molmil](/molmil-images/mine/5nbd) | PglK flippase in complex with inhibitory nanobody | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Nanobody, WlaB protein | Authors: | Perez, C, Pardon, E, Steyaert, J, Locher, K.P. | Deposit date: | 2017-03-01 | Release date: | 2017-05-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | Structural basis of inhibition of lipid-linked oligosaccharide flippase PglK by a conformational nanobody. Sci Rep, 7, 2017
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