5UL5
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![BU of 5ul5 by Molmil](/molmil-images/mine/5ul5) | Crystal structure of RPE65 in complex with MB-004 and palmitate | Descriptor: | (1R)-3-amino-1-{3-[(2-propylpentyl)oxy]phenyl}propan-1-ol, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, FE (II) ION, ... | Authors: | Kiser, P.D, Palczewski, K. | Deposit date: | 2017-01-24 | Release date: | 2017-05-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Rational Tuning of Visual Cycle Modulator Pharmacodynamics. J. Pharmacol. Exp. Ther., 362, 2017
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8B6F
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![BU of 8b6f by Molmil](/molmil-images/mine/8b6f) | Cryo-EM structure of NADH:ubiquinone oxidoreductase (complex-I) from respiratory supercomplex of Tetrahymena thermophila | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2 iron, ... | Authors: | Muhleip, A, Kock Flygaard, R, Amunts, A. | Deposit date: | 2022-09-27 | Release date: | 2023-03-29 | Last modified: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural basis of mitochondrial membrane bending by the I-II-III 2 -IV 2 supercomplex. Nature, 615, 2023
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6QL9
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![BU of 6ql9 by Molmil](/molmil-images/mine/6ql9) | Structure of Fatty acid synthase complex from Saccharomyces cerevisiae at 2.9 Angstrom | Descriptor: | 1,2-ETHANEDIOL, 4'-PHOSPHOPANTETHEINE, ACETATE ION, ... | Authors: | Singh, K, Graf, B, Linden, A, Sautner, V, Urlaub, H, Tittmann, K, Stark, H, Chari, A. | Deposit date: | 2019-01-31 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Discovery of a Regulatory Subunit of the Yeast Fatty Acid Synthase. Cell, 180, 2020
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5D86
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![BU of 5d86 by Molmil](/molmil-images/mine/5d86) | Staphyloferrin B precursor biosynthetic enzyme SbnA Y152F variant | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Kobylarz, M.J, Grigg, J.C, Liu, Y, Lee, M.S.F, Heinrichs, D.E, Murphy, M.E.P. | Deposit date: | 2015-08-15 | Release date: | 2016-02-03 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Deciphering the Substrate Specificity of SbnA, the Enzyme Catalyzing the First Step in Staphyloferrin B Biosynthesis. Biochemistry, 55, 2016
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6NZH
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5EDN
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![BU of 5edn by Molmil](/molmil-images/mine/5edn) | Structure of HOXB13-DNA(TCG) complex | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (5'-D(P*GP*GP*AP*CP*CP*TP*CP*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*AP*C)-3'), DNA (5'-D(P*GP*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*CP*GP*AP*GP*GP*TP*CP*C)-3'), ... | Authors: | Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J. | Deposit date: | 2015-10-21 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Two distinct DNA sequences recognized by transcription factors represent enthalpy and entropy optima. Elife, 7, 2018
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5H29
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![BU of 5h29 by Molmil](/molmil-images/mine/5h29) | Crystal Structure of the NTD_N/C domain of Alkylhydroperoxide Reductase AhpF from Enterococcus Faecalis (V583) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PROLINE, SULFATE ION, ... | Authors: | Balakrishna, A.M, Kwang, T.Y, Gruber, G. | Deposit date: | 2016-10-14 | Release date: | 2017-11-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Novel insights into the vancomycin-resistant Enterococcus faecalis (V583) alkylhydroperoxide reductase subunit F Biochim. Biophys. Acta, 1861, 2017
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4S18
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5UPE
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![BU of 5upe by Molmil](/molmil-images/mine/5upe) | |
6NZP
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5DVY
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![BU of 5dvy by Molmil](/molmil-images/mine/5dvy) | 2.95 Angstrom Crystal Structure of the Dimeric Form of Penicillin Binding Protein 2 Prime from Enterococcus faecium | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Penicillin binding protein 2 prime, SULFATE ION | Authors: | Minasov, G, Wawrzak, Z, Shuvalova, L, Dubrovska, I, Flores, K, Filippova, E, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-09-21 | Release date: | 2015-10-07 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | 2.95 Angstrom Crystal Structure of the Dimeric Form of Penicillin Binding Protein 2 Prime from Enterococcus faecium. To Be Published
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5M41
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![BU of 5m41 by Molmil](/molmil-images/mine/5m41) | Crystal structure of nigritoxine | Descriptor: | MAGNESIUM ION, Nigritoxine | Authors: | Czjzek, M, Labreuche, L, Jeudy, A, Le Roux, F. | Deposit date: | 2016-10-17 | Release date: | 2017-12-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Nigritoxin is a bacterial toxin for crustaceans and insects. Nat Commun, 8, 2017
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8U6P
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![BU of 8u6p by Molmil](/molmil-images/mine/8u6p) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 3-(2-((2-cyanoindolizin-8-yl)oxy)phenoxy)-N,N-dimethylpropanamide (JLJ754), a non-nucleoside inhibitor | Descriptor: | 3-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2023-09-13 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase. Eur.J.Med.Chem., 262, 2023
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8U6N
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![BU of 8u6n by Molmil](/molmil-images/mine/8u6n) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 3-(2-((6-cyanonaphthalen-1-yl)oxy)phenoxy)-N,N-dimethylpropanamide (JLJ752), a non-nucleoside inhibitor | Descriptor: | 3-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}-N,N-dimethylpropanamide, Gag-Pol polyprotein, p51 RT | Authors: | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2023-09-13 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase. Eur.J.Med.Chem., 262, 2023
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5LAQ
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![BU of 5laq by Molmil](/molmil-images/mine/5laq) | Crystal structure of human phosphodiesterase 4B catalytic domain with inhibitor NPD-001 | Descriptor: | (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one, ACETATE ION, MAGNESIUM ION, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2016-06-14 | Release date: | 2018-03-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
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5LBO
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![BU of 5lbo by Molmil](/molmil-images/mine/5lbo) | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-001 | Descriptor: | (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one, 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2016-06-16 | Release date: | 2018-03-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
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2GO0
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![BU of 2go0 by Molmil](/molmil-images/mine/2go0) | |
5VFY
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![BU of 5vfy by Molmil](/molmil-images/mine/5vfy) | Structure of an accessory protein of the pCW3 relaxosome | Descriptor: | TcpK | Authors: | Traore, D.A.K, Wisniewski, J.A, Flanigan, S.F, Conroy, P.J, Panjikar, S, Mok, Y.-F, Lao, C, Griffin, M.D.W, Adams, V, Rood, J.I, Whisstock, J.C. | Deposit date: | 2017-04-10 | Release date: | 2018-04-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Crystal structure of TcpK in complex with oriT DNA of the antibiotic resistance plasmid pCW3. Nat Commun, 9, 2018
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5DNF
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![BU of 5dnf by Molmil](/molmil-images/mine/5dnf) | Crystal structure of CC chemokine 5 (CCL5) oligomer in complex with heparin | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 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, C-C motif chemokine 5, ... | Authors: | Liang, W.G, Tang, W. | Deposit date: | 2015-09-10 | Release date: | 2016-04-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.549 Å) | Cite: | Structural basis for oligomerization and glycosaminoglycan binding of CCL5 and CCL3. Proc.Natl.Acad.Sci.USA, 113, 2016
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5VFX
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![BU of 5vfx by Molmil](/molmil-images/mine/5vfx) | Structure of an accessory protein of the pCW3 relaxosome in complex with the origin of transfer (oriT) DNA | Descriptor: | TcpK, oriT | Authors: | Traore, D.A.K, Wisniewski, J.A, Flanigan, S.F, Conroy, P.J, Panjikar, S, Mok, Y.-F, Lao, C, Griffin, M.D.W, Adams, V, Rood, J.I, Whisstock, J.C. | Deposit date: | 2017-04-10 | Release date: | 2018-04-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Crystal structure of TcpK in complex with oriT DNA of the antibiotic resistance plasmid pCW3. Nat Commun, 9, 2018
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4UFF
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![BU of 4uff by Molmil](/molmil-images/mine/4uff) | Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-(2-((4- carbamimidoylphenyl)methylamino)-2-oxo-ethyl)-N-methyl-3-phenyl- propanamide | Descriptor: | (2R)-2-(benzylsulfonylamino)-N-(2-((4-carbamimidoylphenyl)methylamino)-2-oxo-ethyl)-N-methyl-3-phenyl-propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ... | Authors: | Ruehmann, E, Heine, A, Klebe, G. | Deposit date: | 2015-03-16 | Release date: | 2016-01-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures. Chemmedchem, 11, 2016
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4UFG
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![BU of 4ufg by Molmil](/molmil-images/mine/4ufg) | Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-((1S)-2-((4- carbamimidoylphenyl)methylamino)-1-methyl-2-oxo-ethyl)-N-methyl-3- phenyl-propanamide ethane | Descriptor: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[methyl-[(2R)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]amino]butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ... | Authors: | Ruehmann, E, Heine, A, Klebe, G. | Deposit date: | 2015-03-17 | Release date: | 2016-01-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures. Chemmedchem, 11, 2016
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5HOF
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![BU of 5hof by Molmil](/molmil-images/mine/5hof) | Crystal structure of AbnA, a GH43 extracellular arabinanase from Geobacillus stearothermophilus, in complex with arabinopentaose | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Lansky, S, Shwartstien, O, Salama, R, Shoham, Y, Shoham, G. | Deposit date: | 2016-01-19 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Crystal structure of AbnA, a GH43 extracellular arabinanase from Geobacillus stearothermophilus, in complex with arabinopentaose To Be Published
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4NVM
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4NIR
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![BU of 4nir by Molmil](/molmil-images/mine/4nir) | |