2A02
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![BU of 2a02 by Molmil](/molmil-images/mine/2a02) | Solution NMR Structure of the Periplasmic Signaling Domain of the Outer Membrane Iron Transporter PupA from Pseudomonas putida. | Descriptor: | Ferric-pseudobactin 358 receptor | Authors: | Ferguson, A.D, Amezcua, C.A, Chelliah, Y, Rosen, M.K, Deisenhofer, J. | Deposit date: | 2005-06-15 | Release date: | 2006-09-26 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Signal transduction pathway of TonB-dependent transporters. Proc.Natl.Acad.Sci.Usa, 2, 2006
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1ZYR
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![BU of 1zyr by Molmil](/molmil-images/mine/1zyr) | Structure of Thermus thermophilus RNA polymerase holoenzyme in complex with the antibiotic streptolydigin | Descriptor: | DNA-directed RNA polymerase alpha chain, DNA-directed RNA polymerase beta chain, DNA-directed RNA polymerase omega chain, ... | Authors: | Tuske, S, Sarafianos, S.G, Wang, X, Hudson, B, Sineva, E, Mukhopadhyay, J, Birktoft, J.J, Leroy, O, Ismail, S, Clark, A.D, Dharia, C, Napoli, A, Laptenko, O, Lee, J, Borukhov, S, Ebright, R.H, Arnold, E. | Deposit date: | 2005-06-10 | Release date: | 2005-09-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Inhibition of bacterial RNA polymerase by streptolydigin: stabilization of a straight-bridge-helix active-center conformation. Cell(Cambridge,Mass.), 122, 2005
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1Y4I
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![BU of 1y4i by Molmil](/molmil-images/mine/1y4i) | Crystal structure of Citrobacter Freundii L-methionine-lyase | Descriptor: | SULFATE ION, methionine gamma-lyase | Authors: | Revtovich, S.V, Mamaeva, D.V, Morozova, E.A, Nikulin, A.D, Nikonov, S.V, Garber, M.B, Demidkina, T.V. | Deposit date: | 2004-12-01 | Release date: | 2005-06-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of Citrobacter freundii L-methionine gamma-lyase. Acta Crystallogr.,Sect.F, 61, 2005
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1Y8Y
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![BU of 1y8y by Molmil](/molmil-images/mine/1y8y) | Crystal structure of human CDK2 complexed with a pyrazolo[1,5-a]pyrimidine inhibitor | Descriptor: | (5-CHLOROPYRAZOLO[1,5-A]PYRIMIDIN-7-YL)-(4-METHANESULFONYLPHENYL)AMINE, Cell division protein kinase 2 | Authors: | Williamson, D.S, Parratt, M.J, Torrance, C.J, Bower, J.F, Moore, J.D, Richardson, C.M, Dokurno, P, Cansfield, A.D, Francis, G.L, Hebdon, R.J, Howes, R, Jackson, P.S, Lockie, A.M, Murray, J.B, Nunns, C.L, Powles, J, Robertson, A, Surgenor, A.E. | Deposit date: | 2004-12-14 | Release date: | 2005-02-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | Structure-guided design of pyrazolo[1,5-a]pyrimidines as inhibitors of human cyclin-dependent kinase 2. Bioorg.Med.Chem.Lett., 15, 2005
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1Y91
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![BU of 1y91 by Molmil](/molmil-images/mine/1y91) | Crystal structure of human CDK2 complexed with a pyrazolo[1,5-a]pyrimidine inhibitor | Descriptor: | 4-[5-(TRANS-4-AMINOCYCLOHEXYLAMINO)-3-ISOPROPYLPYRAZOLO[1,5-A]PYRIMIDIN-7-YLAMINO]-N,N-DIMETHYLBENZENESULFONAMIDE, Cell division protein kinase 2 | Authors: | Williamson, D.S, Parratt, M.J, Torrance, C.J, Bower, J.F, Moore, J.D, Richardson, C.M, Dokurno, P, Cansfield, A.D, Francis, G.L, Hebdon, R.J, Howes, R, Jackson, P.S, Lockie, A.M, Murray, J.B, Nunns, C.L, Powles, J, Robertson, A, Surgenor, A.E. | Deposit date: | 2004-12-14 | Release date: | 2005-02-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-guided design of pyrazolo[1,5-a]pyrimidines as inhibitors of human cyclin-dependent kinase 2. Bioorg.Med.Chem.Lett., 15, 2005
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1Z3R
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![BU of 1z3r by Molmil](/molmil-images/mine/1z3r) | Solution structure of the Omsk Hemhorraghic Fever Envelope Protein Domain III | Descriptor: | polyprotein | Authors: | Volk, D.E, Chavez, L, Beasley, D.W, Barrett, A.D, Gorenstein, D.G. | Deposit date: | 2005-03-14 | Release date: | 2006-03-14 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Structure of the envelope protein domain III of Omsk hemorrhagic fever virus. Virology, 351, 2006
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1QIN
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![BU of 1qin by Molmil](/molmil-images/mine/1qin) | HUMAN GLYOXALASE I COMPLEXED WITH S-(N-HYDROXY-N-P-IODOPHENYLCARBAMOYL) GLUTATHIONE | Descriptor: | PROTEIN (LACTOYLGLUTATHIONE LYASE), S-(N-HYDROXY-N-IODOPHENYLCARBAMOYL)GLUTATHIONE, ZINC ION | Authors: | Cameron, A.D, Ridderstrom, M, Olin, B, Mannervik, B. | Deposit date: | 1999-06-14 | Release date: | 1999-11-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Reaction mechanism of glyoxalase I explored by an X-ray crystallographic analysis of the human enzyme in complex with a transition state analogue. Biochemistry, 38, 1999
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1ZZF
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![BU of 1zzf by Molmil](/molmil-images/mine/1zzf) | |
2A4H
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![BU of 2a4h by Molmil](/molmil-images/mine/2a4h) | Solution structure of Sep15 from Drosophila melanogaster | Descriptor: | Selenoprotein Sep15 | Authors: | Ferguson, A.D, Labunskyy, V.M, Fomenko, D.E, Chelliah, Y, Amezcua, C.A, Rizo, J, Gladyshev, V.N, Deisenhofer, J. | Deposit date: | 2005-06-28 | Release date: | 2005-12-13 | Last modified: | 2022-03-09 | Method: | SOLUTION NMR | Cite: | NMR Structures of the Selenoproteins Sep15 and SelM Reveal Redox Activity of a New Thioredoxin-like Family. J.Biol.Chem., 281, 2006
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2A2P
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![BU of 2a2p by Molmil](/molmil-images/mine/2a2p) | Solution structure of SelM from Mus musculus | Descriptor: | Selenoprotein M | Authors: | Ferguson, A.D, Labunskyy, V.M, Fomenko, D.E, Chelliah, Y, Amezcua, C.A, Rizo, J, Gladyshev, V.N, Deisenhofer, J. | Deposit date: | 2005-06-22 | Release date: | 2005-12-06 | Last modified: | 2021-10-20 | Method: | SOLUTION NMR | Cite: | NMR Structures of the Selenoproteins Sep15 and SelM Reveal Redox Activity of a New Thioredoxin-like Family. J.Biol.Chem., 281, 2006
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2AAV
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![BU of 2aav by Molmil](/molmil-images/mine/2aav) | Solution NMR structure of Filamin A domain 17 | Descriptor: | Filamin A | Authors: | Nakamura, F, Pudas, R, Heikkinen, O, Permi, P, Kilpelainen, I, Munday, A.D, Hartwig, J.H, Stossel, T.P, Ylanne, J. | Deposit date: | 2005-07-14 | Release date: | 2006-05-02 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | The structure of the GPIb-filamin A complex Blood, 107, 2006
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2AXM
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![BU of 2axm by Molmil](/molmil-images/mine/2axm) | HEPARIN-LINKED BIOLOGICALLY-ACTIVE DIMER OF FIBROBLAST GROWTH FACTOR | Descriptor: | 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ACIDIC FIBROBLAST GROWTH FACTOR | Authors: | Digabriele, A.D, Lax, I, Chen, D.I, Svahn, C.M, Jaye, M, Schlessinger, J, Hendrickson, W.A. | Deposit date: | 1997-10-20 | Release date: | 1998-04-22 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of a heparin-linked biologically active dimer of fibroblast growth factor. Nature, 393, 1998
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5H8B
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![BU of 5h8b by Molmil](/molmil-images/mine/5h8b) | Crystal structure of CK2 with compound 2 | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | Authors: | Ferguson, A.D. | Deposit date: | 2015-12-23 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Potent and Selective CK2 Kinase Inhibitors with Effects on Wnt Pathway Signaling in Vivo. Acs Med.Chem.Lett., 7, 2016
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2LS8
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![BU of 2ls8 by Molmil](/molmil-images/mine/2ls8) | Solution structure of human C-type lectin domain family 4 member D | Descriptor: | C-type lectin domain family 4 member D | Authors: | Harris, R, Gaudette, J, Bandaranayake, A.D, Banu, R, Bonanno, J.B, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chaparro, R, Evans, B, Garforth, S, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Lim, S, Love, J, Matikainen, B, Patel, H, Seidel, R.D, Smith, B, Stead, M, Girvin, M.E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-04-23 | Release date: | 2012-05-09 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Solution structure of human C-type lectin domain family 4 member D To be Published
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5KO3
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![BU of 5ko3 by Molmil](/molmil-images/mine/5ko3) | |
5H8E
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![BU of 5h8e by Molmil](/molmil-images/mine/5h8e) | Crystal structure of CK2 with compound 7h | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha, ... | Authors: | Ferguson, A.D. | Deposit date: | 2015-12-23 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Potent and Selective CK2 Kinase Inhibitors with Effects on Wnt Pathway Signaling in Vivo. Acs Med.Chem.Lett., 7, 2016
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5HLK
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![BU of 5hlk by Molmil](/molmil-images/mine/5hlk) | Crystal structure of the ternary EcoRV-DNA-Lu complex with cleaved DNA substrate. | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*AP*AP*GP*AP*TP)-3'), DNA (5'-D(*AP*TP*CP*TP*TP*TP)-3'), ... | Authors: | Sangani, S.S, Kehr, A.D, Sinha, K, Rule, G.S, Jen-Jacobson, L. | Deposit date: | 2016-01-15 | Release date: | 2016-11-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Metal Ion Binding at the Catalytic Site Induces Widely Distributed Changes in a Sequence Specific Protein-DNA Complex. Biochemistry, 55, 2016
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5HYO
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![BU of 5hyo by Molmil](/molmil-images/mine/5hyo) | |
5I21
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![BU of 5i21 by Molmil](/molmil-images/mine/5i21) | |
2M96
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![BU of 2m96 by Molmil](/molmil-images/mine/2m96) | |
5M2H
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![BU of 5m2h by Molmil](/molmil-images/mine/5m2h) | Crystal structure of vancomycin-Zn(II)-citrate complex | Descriptor: | CITRIC ACID, HEXAETHYLENE GLYCOL, Vancomycin, ... | Authors: | Zarkan, A, Macklyne, H.-R, Chirgadze, D.Y, Bond, A.D, Hesketh, A.R, Hong, H.-J. | Deposit date: | 2016-10-13 | Release date: | 2017-07-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Zn(II) mediates vancomycin polymerization and potentiates its antibiotic activity against resistant bacteria. Sci Rep, 7, 2017
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5M3Z
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![BU of 5m3z by Molmil](/molmil-images/mine/5m3z) | Crystal structure of Citrobacter freundii methionine gamma-lyase with C115H replacement in the complex with L-norleucine | Descriptor: | 2-[O-PHOSPHONOPYRIDOXYL]-AMINO-HEXANOIC ACID, Methionine gamma-lyase, NORLEUCINE, ... | Authors: | Revtovich, S.V, Nikulin, A.D, Anufrieva, N.V, Morozova, E.A, Demidkina, T.V. | Deposit date: | 2016-10-17 | Release date: | 2017-06-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structure of mutant form Cys115His of Citrobacter freundii methionine gamma-lyase complexed with l-norleucine. Biochim. Biophys. Acta, 1865, 2017
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5I6C
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![BU of 5i6c by Molmil](/molmil-images/mine/5i6c) | The structure of the eukaryotic purine/H+ symporter, UapA, in complex with Xanthine | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Uric acid-xanthine permease, XANTHINE | Authors: | Alguel, Y, Amillis, S, Leung, J, Lambrinidis, G, Capaldi, S, Scull, N.J, Craven, G, Iwata, S, Armstrong, A, Mikros, E, Diallinas, G, Cameron, A.D, Byrne, B. | Deposit date: | 2016-02-16 | Release date: | 2016-04-27 | Last modified: | 2017-08-30 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Structure of eukaryotic purine/H(+) symporter UapA suggests a role for homodimerization in transport activity. Nat Commun, 7, 2016
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5MKN
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5MU8
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![BU of 5mu8 by Molmil](/molmil-images/mine/5mu8) | HUMAN TNF-ALPHA IN COMPLEX WITH JNJ525 | Descriptor: | Tumor necrosis factor, ~{N}4-(phenylmethyl)-~{N}4-[2-[3-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]phenyl]pyrimidine-2,4-diamine | Authors: | Blevitt, J.M, Hack, M.D, Herman, K.L, Jackson, P.F, Krawczuk, P.J, Lebsack, A.D, Liu, A.X, Mirzadegan, T, Nelen, M.I, Patrick, A.P, Steinbacher, S, Milla, M.E, Lumb, K.J. | Deposit date: | 2017-01-12 | Release date: | 2017-03-29 | Last modified: | 2019-02-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Basis of Small-Molecule Aggregate Induced Inhibition of a Protein-Protein Interaction. J. Med. Chem., 60, 2017
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