5XDV
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![BU of 5xdv by Molmil](/molmil-images/mine/5xdv) | Staphylococcus aureus FtsZ 12-316 G196S complexed with TXA6101 | Descriptor: | 3-[[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methoxy]-2,6-bis(fluoranyl)benzamide, CALCIUM ION, Cell division protein FtsZ, ... | Authors: | Fujita, J, Maeda, Y, Mizohata, E, Inoue, T, Kaul, M, Parhi, A.K, LaVoie, E.J, Pilch, D.S, Matsumura, H. | Deposit date: | 2017-03-30 | Release date: | 2017-08-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Flexibility of an Inhibitor Overcomes Drug Resistance Mutations in Staphylococcus aureus FtsZ ACS Chem. Biol., 12, 2017
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1IR2
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![BU of 1ir2 by Molmil](/molmil-images/mine/1ir2) | Crystal Structure of Activated Ribulose-1,5-bisphosphate Carboxylase/oxygenase (Rubisco) from Green alga, Chlamydomonas reinhardtii Complexed with 2-Carboxyarabinitol-1,5-bisphosphate (2-CABP) | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, GLYCEROL, Large subunit of Rubisco, ... | Authors: | Mizohata, E, Matsumura, H, Okano, Y, Kumei, M, Takuma, H, Onodera, J, Kato, K, Shibata, N, Inoue, T, Yokota, A, Kai, Y. | Deposit date: | 2001-09-03 | Release date: | 2002-03-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystal structure of activated ribulose-1,5-bisphosphate carboxylase/oxygenase from green alga Chlamydomonas reinhardtii complexed with 2-carboxyarabinitol-1,5-bisphosphate. J.Mol.Biol., 316, 2002
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2YBT
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![BU of 2ybt by Molmil](/molmil-images/mine/2ybt) | Crystal structure of human acidic chitinase in complex with bisdionin C | Descriptor: | 1,1'-PROPANE-1,3-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE), ACIDIC MAMMALIAN CHITINASE, GLYCEROL | Authors: | Sutherland, T.E, Andersen, O.A, Betou, M, Eggleston, I.M, Maizels, R.M, van Aalten, D, Allen, J.E. | Deposit date: | 2011-03-10 | Release date: | 2011-06-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Analyzing airway inflammation with chemical biology: dissection of acidic mammalian chitinase function with a selective drug-like inhibitor. Chem. Biol., 18, 2011
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2FU2
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![BU of 2fu2 by Molmil](/molmil-images/mine/2fu2) | Crystal structure of protein SPy2152 from Streptococcus pyogenes | Descriptor: | Hypothetical protein SPy2152 | Authors: | Chang, C, Cymborowski, M, Otwinowski, Z, Minor, W, Lezondra, L.-E, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-01-25 | Release date: | 2006-03-07 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The structure of pyogenecin immunity protein, a novel bacteriocin-like immunity protein from Streptococcus pyogenes. Bmc Struct.Biol., 9, 2009
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2JCC
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![BU of 2jcc by Molmil](/molmil-images/mine/2jcc) | AH3 recognition of mutant HLA-A2 W167A | Descriptor: | BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, A-2 ALPHA CHAIN, ... | Authors: | Miller, P, Benhar, Y.P, Biddison, W, Collins, E.J. | Deposit date: | 2006-12-21 | Release date: | 2007-10-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Single Mhc Mutation Eliminates Enthalpy Associated with T Cell Receptor Binding. J.Mol.Biol., 373, 2007
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1T32
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![BU of 1t32 by Molmil](/molmil-images/mine/1t32) | A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation | Descriptor: | 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID, Cathepsin G, SULFATE ION | Authors: | de Garavilla, L, Greco, M.N, Giardino, E.C, Wells, G.I, Haertlein, B.J, Kauffman, J.A, Corcoran, T.W, Derian, C.K, Eckardt, A.J, Abraham, W.M, Sukumar, N, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E, Andrade-Gordon, P, Damiano, B.P, Maryanoff, B.E. | Deposit date: | 2004-04-23 | Release date: | 2005-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A novel, potent dual inhibitor of the leukocyte proteases cathepsin G and chymase: molecular mechanisms and anti-inflammatory activity in vivo. J.Biol.Chem., 280, 2005
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4K0J
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![BU of 4k0j by Molmil](/molmil-images/mine/4k0j) | X-ray crystal structure of a heavy metal efflux pump, crystal form I | Descriptor: | Heavy metal cation tricomponent efflux pump ZneA(CzcA-like), ZINC ION | Authors: | Pak, J.E, Stroud, R.M, Ngonlong Ekende, E, Vandenbussche, G, Center for Structures of Membrane Proteins (CSMP) | Deposit date: | 2013-04-04 | Release date: | 2013-10-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of intermediate transport states of ZneA, a Zn(II)/proton antiporter. Proc.Natl.Acad.Sci.USA, 110, 2013
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2JEL
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![BU of 2jel by Molmil](/molmil-images/mine/2jel) | JEL42 FAB/HPR COMPLEX | Descriptor: | HISTIDINE-CONTAINING PROTEIN, JEL42 FAB FRAGMENT, SULFATE ION | Authors: | Prasad, L, Waygood, E.B, Lee, J.S, Delbaere, L.T.J. | Deposit date: | 1998-02-24 | Release date: | 1998-05-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The 2.5 A resolution structure of the jel42 Fab fragment/HPr complex J.Mol.Biol., 280, 1998
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6ZOE
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![BU of 6zoe by Molmil](/molmil-images/mine/6zoe) | AcrB-F563A symmetric T protomer | Descriptor: | 1,2-ETHANEDIOL, DARPIN, DECANE, ... | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | Deposit date: | 2020-07-07 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
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3EOJ
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![BU of 3eoj by Molmil](/molmil-images/mine/3eoj) | Fmo protein from Prosthecochloris Aestuarii 2K AT 1.3A Resolution | Descriptor: | 1,2-ETHANEDIOL, AMMONIUM ION, BACTERIOCHLOROPHYLL A, ... | Authors: | Tronrud, D.E, Wen, J, Gay, L, Blankenship, R.E. | Deposit date: | 2008-09-27 | Release date: | 2009-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The structural basis for the difference in absorbance spectra for the FMO antenna protein from various green sulfur bacteria. Photosynth.Res., 100, 2009
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7A5Y
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![BU of 7a5y by Molmil](/molmil-images/mine/7a5y) | Crystal structure of tetrameric human H215A-SAMHD1 (residues 109-626) with Rp-dGTP-alphaS (T8T) and Mg | Descriptor: | 2'-deoxyguanosine-5'-O-(1-thiotriphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ... | Authors: | Morris, E.R, Kunzelmann, S, Caswell, S.J, Purkiss, A, Taylor, I.A. | Deposit date: | 2020-08-24 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Probing the Catalytic Mechanism and Inhibition of SAMHD1 Using the Differential Properties of R p - and S p -dNTP alpha S Diastereomers. Biochemistry, 60, 2021
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6IEJ
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![BU of 6iej by Molmil](/molmil-images/mine/6iej) | The C2 domain of cytosolic phospholipase A2 alpha bound to phosphatidylcholine | Descriptor: | 1,2-dihexanoyl-sn-glycero-3-phosphocholine, CALCIUM ION, Cytosolic phospholipase A2, ... | Authors: | Hirano, Y, Gao, Y.G, Stephenson, D.J, Vu, N.T, Malinina, L, Chalfant, C.E, Patel, D.J, Brown, R.E. | Deposit date: | 2018-09-14 | Release date: | 2019-05-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.206 Å) | Cite: | Structural basis of phosphatidylcholine recognition by the C2-domain of cytosolic phospholipase A2alpha. Elife, 8, 2019
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1TGY
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![BU of 1tgy by Molmil](/molmil-images/mine/1tgy) | Structure of E. coli Uridine Phosphorylase complexed with uracil and ribose 1-phosphate | Descriptor: | 1-O-phosphono-alpha-D-ribofuranose, POTASSIUM ION, URACIL, ... | Authors: | Bu, W, Settembre, E.C, Sanders, J.M, Begley, T.P, Ealick, S.E. | Deposit date: | 2004-05-31 | Release date: | 2005-06-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of E. coli Uridine Phosphorylase To be Published, 2004
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6U9M
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![BU of 6u9m by Molmil](/molmil-images/mine/6u9m) | MLL1 SET N3861I/Q3867L bound to inhibitor 16 (TC-5109) | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(thiophen-2-yl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, GLYCEROL, Histone-lysine N-methyltransferase, ... | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2019-09-09 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase. Acs Med.Chem.Lett., 11, 2020
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5HVY
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![BU of 5hvy by Molmil](/molmil-images/mine/5hvy) | CDK8/CYCC IN COMPLEX WITH COMPOUND 20 | Descriptor: | CHLORIDE ION, Cyclin-C, Cyclin-dependent kinase 8, ... | Authors: | Kiefer, J.R, Schneider, E.V, Maskos, K, Bergeron, P, Koehler, M. | Deposit date: | 2016-01-28 | Release date: | 2016-04-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Design and Development of a Series of Potent and Selective Type II Inhibitors of CDK8. Acs Med.Chem.Lett., 7, 2016
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146L
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![BU of 146l by Molmil](/molmil-images/mine/146l) | |
3E41
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![BU of 3e41 by Molmil](/molmil-images/mine/3e41) | Q138F HincII bound to GTCGAC and 5 mM Ca2+ | Descriptor: | 5'-D(*DGP*DCP*DCP*DGP*DGP*DTP*DCP*DGP*DAP*DCP*DCP*DGP*DGP*DC)-3', CALCIUM ION, SODIUM ION, ... | Authors: | Horton, N.C, Babic, A.C, Little, E.J, Manohar, V.M. | Deposit date: | 2008-08-08 | Release date: | 2008-08-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | DNA distortion and specificity in a sequence-specific endonuclease. J.Mol.Biol., 383, 2008
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3GZF
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![BU of 3gzf by Molmil](/molmil-images/mine/3gzf) | Structure of the C-terminal domain of nsp4 from Feline Coronavirus | Descriptor: | Replicase polyprotein 1ab, SULFATE ION | Authors: | Manolaridis, I, Wojdyla, J.A, Panjikar, S, Snijder, E.J, Gorbalenya, A.E, Coutard, B, Tucker, P.A. | Deposit date: | 2009-04-07 | Release date: | 2009-08-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.756 Å) | Cite: | Structure of the C-terminal domain of nsp4 from feline coronavirus Acta Crystallogr.,Sect.D, 65, 2009
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8BU8
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![BU of 8bu8 by Molmil](/molmil-images/mine/8bu8) | |
4ZKW
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![BU of 4zkw by Molmil](/molmil-images/mine/4zkw) | |
6ILQ
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![BU of 6ilq by Molmil](/molmil-images/mine/6ilq) | Crystal structure of PPARgamma with compound BR101549 | Descriptor: | Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma, ethyl [2-butyl-6-oxo-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}-4-(propan-2-yl)-1,6-dihydropyrimidin-5-yl]acetate | Authors: | Hong, E, Jang, T.H, Chin, J, Kim, K.H, Jung, W, Kim, S.H. | Deposit date: | 2018-10-19 | Release date: | 2019-09-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.408 Å) | Cite: | Identification of BR101549 as a lead candidate of non-TZD PPAR gamma agonist for the treatment of type 2 diabetes: Proof-of-concept evaluation and SAR. Bioorg.Med.Chem.Lett., 29, 2019
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3E40
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![BU of 3e40 by Molmil](/molmil-images/mine/3e40) | Q138F HincII bound to GTTAAC and cocrystallized with 5 mM Ca2+ | Descriptor: | 5'-D(*DGP*DCP*DCP*DGP*DGP*DTP*DP*DAP*DAP*DCP*DCP*DGP*DGP*DC)-3'), CALCIUM ION, SODIUM ION, ... | Authors: | Horton, N.C, Babic, A.C, Little, E.J, Manohar, V.M. | Deposit date: | 2008-08-08 | Release date: | 2008-08-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | DNA distortion and specificity in a sequence-specific endonuclease. J.Mol.Biol., 383, 2008
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6M5Q
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![BU of 6m5q by Molmil](/molmil-images/mine/6m5q) | A class C beta-lactamase mutant - Y150F | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Beta-lactamase | Authors: | Bae, D.W, Jung, Y.E, Cha, S.S. | Deposit date: | 2020-03-11 | Release date: | 2021-01-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Novel inhibition mechanism of carbapenems on the ACC-1 class C beta-lactamase. Arch.Biochem.Biophys., 693, 2020
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1WEJ
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![BU of 1wej by Molmil](/molmil-images/mine/1wej) | IGG1 FAB FRAGMENT (OF E8 ANTIBODY) COMPLEXED WITH HORSE CYTOCHROME C AT 1.8 A RESOLUTION | Descriptor: | CYTOCHROME C, E8 ANTIBODY, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Mylvaganam, S.E, Paterson, Y, Getzoff, E.D. | Deposit date: | 1998-03-26 | Release date: | 1998-12-09 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for the binding of an anti-cytochrome c antibody to its antigen: crystal structures of FabE8-cytochrome c complex to 1.8 A resolution and FabE8 to 2.26 A resolution. J.Mol.Biol., 281, 1998
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1T4S
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![BU of 1t4s by Molmil](/molmil-images/mine/1t4s) | arginase-L-valine complex | Descriptor: | Arginase 1, MANGANESE (II) ION, VALINE | Authors: | Cama, E, Pethe, S, Boucher, J.-L, Shoufa, H, Emig, F.A, Ash, D.E, Viola, R.E, Mansuy, D, Christianson, D.W. | Deposit date: | 2004-04-30 | Release date: | 2004-10-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Inhibitor coordination interactions in the binuclear manganese cluster of arginase Biochemistry, 43, 2004
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