3OK9
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![BU of 3ok9 by Molmil](/molmil-images/mine/3ok9) | Crystal structure of wild-type HIV-1 protease with new oxatricyclic designed inhibitor GRL-0519A | Descriptor: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, GLYCEROL, ... | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | Deposit date: | 2010-08-24 | Release date: | 2010-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Probing Multidrug-Resistance and Protein-Ligand Interactions with Oxatricyclic Designed Ligands in HIV-1 Protease Inhibitors. Chemmedchem, 5, 2010
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4AHS
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![BU of 4ahs by Molmil](/molmil-images/mine/4ahs) | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | Descriptor: | 1,2-ETHANEDIOL, 1-BENZOFURAN-7-CARBOXYLIC ACID, ACETATE ION, ... | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | Deposit date: | 2012-02-07 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification? J.Biomol.Screen, 18, 2013
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2I17
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![BU of 2i17 by Molmil](/molmil-images/mine/2i17) | Human aldose reductase in complex with NADP+ and the inhibitor IDD594 at temperature of 60K | Descriptor: | Aldose reductase, CITRIC ACID, IDD594, ... | Authors: | Petrova, T, Ginell, S, Mitshler, A, Hasemann, I, Schneider, T, Cousido, A, Lunin, V.Y, Joachimiak, A, Podjarny, A. | Deposit date: | 2006-08-13 | Release date: | 2006-08-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.81 Å) | Cite: | Ultrahigh-resolution study of protein atomic displacement parameters at cryotemperatures obtained with a helium cryostat. Acta Crystallogr.,Sect.D, 62, 2006
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2ZDY
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![BU of 2zdy by Molmil](/molmil-images/mine/2zdy) | Inhibitor-bound structures of human pyruvate dehydrogenase kinase 4 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Kawamoto, M, Shiromizu, I, Kukimoto-Niino, M, Tokmakov, A, Terada, T, Shirouzu, M, Matsusue, T, Yokoyama, S. | Deposit date: | 2007-12-01 | Release date: | 2008-12-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Inhibitor-bound structures of human pyruvate dehydrogenase kinase 4. Acta Crystallogr.,Sect.D, 67, 2011
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7FCW
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![BU of 7fcw by Molmil](/molmil-images/mine/7fcw) | X-ray structure of H2O-solvent lysozyme | Descriptor: | CHLORIDE ION, Lysozyme C, NICKEL (II) ION | Authors: | Chatake, T, Tanaka, I, Kusaka, K, Fujiwara, S. | Deposit date: | 2021-07-15 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Protonation states of hen egg-white lysozyme observed using D/H contrast neutron crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7FCU
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![BU of 7fcu by Molmil](/molmil-images/mine/7fcu) | X-ray structure of D2O-solvent lysozyme | Descriptor: | CHLORIDE ION, Lysozyme C, NICKEL (II) ION | Authors: | Chatake, T, Tanaka, I, Kusaka, K, Fujiwara, S. | Deposit date: | 2021-07-15 | Release date: | 2022-04-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Protonation states of hen egg-white lysozyme observed using D/H contrast neutron crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7F0Y
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7F13
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![BU of 7f13 by Molmil](/molmil-images/mine/7f13) | Crystal structure of isomerase Dcr3 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Dcr3 | Authors: | Yang, J, Mori, T, Abe, I. | Deposit date: | 2021-06-07 | Release date: | 2022-04-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural Basis for Isomerization Reactions in Fungal Tetrahydroxanthone Biosynthesis and Diversification. Angew.Chem.Int.Ed.Engl., 60, 2021
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7F2H
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7EYU
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![BU of 7eyu by Molmil](/molmil-images/mine/7eyu) | Fe(II)/(alpha)ketoglutarate-dependent dioxygenase SptF-N65T mutant with andiconin D | Descriptor: | 2-oxoglutarate/Fe(II)-dependent dioxygenase SptF, Andiconin D, FE (II) ION, ... | Authors: | Tao, H, Mori, T, Abe, I. | Deposit date: | 2021-06-01 | Release date: | 2022-04-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Molecular insights into the unusually promiscuous and catalytically versatile Fe(II)/ alpha-ketoglutarate-dependent oxygenase SptF. Nat Commun, 13, 2022
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7F11
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![BU of 7f11 by Molmil](/molmil-images/mine/7f11) | Crystal structure of NsrQ M128I in complex with substrate analogue 7 | Descriptor: | NsrQ, methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3,6-bis(oxidanyl)benzoate | Authors: | Yang, J, Mori, T, Abe, I. | Deposit date: | 2021-06-07 | Release date: | 2022-04-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Basis for Isomerization Reactions in Fungal Tetrahydroxanthone Biosynthesis and Diversification. Angew.Chem.Int.Ed.Engl., 60, 2021
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7FCB
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![BU of 7fcb by Molmil](/molmil-images/mine/7fcb) | SptF 9 residues truncated mutant | Descriptor: | 2-oxoglutarate/Fe(II)-dependent dioxygenase SptF, FE (II) ION, N-OXALYLGLYCINE | Authors: | Hui, T, Mori, T, Abe, I. | Deposit date: | 2021-07-14 | Release date: | 2022-04-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Molecular insights into the unusually promiscuous and catalytically versatile Fe(II)/ alpha-ketoglutarate-dependent oxygenase SptF. Nat Commun, 13, 2022
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7F0Z
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![BU of 7f0z by Molmil](/molmil-images/mine/7f0z) | Crystal structure of NsrQ W31A | Descriptor: | NsrQ | Authors: | Yang, J, Mori, T, Abe, I. | Deposit date: | 2021-06-07 | Release date: | 2022-04-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for Isomerization Reactions in Fungal Tetrahydroxanthone Biosynthesis and Diversification. Angew.Chem.Int.Ed.Engl., 60, 2021
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7F14
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7F0O
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7F2G
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7F10
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2XCT
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![BU of 2xct by Molmil](/molmil-images/mine/2xct) | The twinned 3.35A structure of S. aureus Gyrase complex with Ciprofloxacin and DNA | Descriptor: | 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, 5'-D(AP*GP*CP*CP*GP*TP*AP*G)-3', 5'-D(GP*TP*AP*CP*AP*CP*CP*GP*CP*AP*CP*A)-3', ... | Authors: | Bax, B.D, Chan, P, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A, Wohlkonig, A, Pearson, N.D, Gwynn, M.N. | Deposit date: | 2010-04-25 | Release date: | 2010-08-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents. Nature, 466, 2010
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7EQE
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![BU of 7eqe by Molmil](/molmil-images/mine/7eqe) | Crystal Structure of a transcription factor | Descriptor: | TetR/AcrR family transcriptional regulator | Authors: | Uehara, S, Tsugita, A, Matsui, T, Yokoyama, T, Ostash, I, Ostash, B, Tanaka, Y. | Deposit date: | 2021-05-01 | Release date: | 2022-04-27 | Last modified: | 2022-10-19 | Method: | X-RAY DIFFRACTION (2.399 Å) | Cite: | The carbohydrate tail of landomycin A is responsible for its interaction with the repressor protein LanK. Febs J., 289, 2022
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7EQF
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![BU of 7eqf by Molmil](/molmil-images/mine/7eqf) | Crystal Structure of a Transcription Factor in complex with Ligand | Descriptor: | (6~{R})-3-methyl-8-[(2~{S},4~{R},5~{S},6~{R})-6-methyl-5-[(2~{S},4~{R},5~{R},6~{R})-6-methyl-4-[(2~{S},5~{S},6~{S})-6-methyl-5-[(2~{S},4~{R},5~{S},6~{R})-6-methyl-5-[(2~{S},4~{S},5~{S},6~{R})-6-methyl-4-[(2~{S},5~{S},6~{S})-6-methyl-5-oxidanyl-oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-1,6,11-tris(oxidanyl)-5,6-dihydrobenzo[a]anthracene-7,12-dione, TetR/AcrR family transcriptional regulator | Authors: | Uehara, S, Tsugita, A, Matsui, T, Yokoyama, T, Ostash, I, Ostash, B, Tanaka, Y. | Deposit date: | 2021-05-01 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | The carbohydrate tail of landomycin A is responsible for its interaction with the repressor protein LanK. Febs J., 289, 2022
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1MB1
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![BU of 1mb1 by Molmil](/molmil-images/mine/1mb1) | MBP1 FROM SACCHAROMYCES CEREVISIAE | Descriptor: | MLU1-BOX BINDING PROTEIN | Authors: | Taylor, I.A, Smerdon, S.J. | Deposit date: | 1997-07-23 | Release date: | 1998-07-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The X-ray structure of the DNA-binding domain from the Saccharomyces cerevisiae cell-cycle transcription factor Mbp1 at 2.1 A resolution. J.Mol.Biol., 272, 1997
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1MOY
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![BU of 1moy by Molmil](/molmil-images/mine/1moy) | Streptavidin Mutant with Osteopontin Hexapeptide Insertion Including RGD | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Streptavidin | Authors: | Le Trong, I, McDevitt, T.C, Nelson, K.E, Stayton, P.S, Stenkamp, R.E. | Deposit date: | 2002-09-10 | Release date: | 2003-05-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural characterization and comparison of RGD cell-adhesion recognition sites engineered into streptavidin. Acta Crystallogr.,Sect.D, 59, 2003
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7F0A
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7F0B
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![BU of 7f0b by Molmil](/molmil-images/mine/7f0b) | Crystal structure of capreomycin phosphotransferase in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Capreomycin phosphotransferase | Authors: | Chang, C.Y, Pan, Y.C, Wang, Y.L, Toh, S.I. | Deposit date: | 2021-06-03 | Release date: | 2022-05-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Dual-Mechanism Confers Self-Resistance to the Antituberculosis Antibiotic Capreomycin. Acs Chem.Biol., 17, 2022
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7F0F
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![BU of 7f0f by Molmil](/molmil-images/mine/7f0f) | Crystal structure of capreomycin phosphotransferase in complex with CMN IIB | Descriptor: | Capreomycin phosphotransferase, DPP-ALA-DPP-UAL-MYN-KBE | Authors: | Chang, C.Y, Pan, Y.C, Wang, Y.L, Toh, S.I. | Deposit date: | 2021-06-03 | Release date: | 2022-05-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Dual-Mechanism Confers Self-Resistance to the Antituberculosis Antibiotic Capreomycin. Acs Chem.Biol., 17, 2022
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