4HVD
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![BU of 4hvd by Molmil](/molmil-images/mine/4hvd) | JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-1,2,2-trimethyl-propyl)-amide | Descriptor: | 1-phenylurea, 2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3 | Authors: | Kuglstatter, A, Shao, A. | Deposit date: | 2012-11-06 | Release date: | 2013-01-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models. J.Med.Chem., 56, 2013
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8SVC
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![BU of 8svc by Molmil](/molmil-images/mine/8svc) | Crystal Structure of SBP from Klebsiella pneumoniae | Descriptor: | Metal ABC transporter substrate-binding protein, SULFATE ION, ZINC ION | Authors: | Giles, M.W, Cole, G.B, Ng, D, McDevitt, C.A, Moraes, T.F. | Deposit date: | 2023-05-16 | Release date: | 2024-01-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Zinc acquisition and its contribution to Klebsiella pneumoniae virulence. Front Cell Infect Microbiol, 13, 2023
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8VHL
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![BU of 8vhl by Molmil](/molmil-images/mine/8vhl) | Structure of DHODH in Complex with Ligand 17 | Descriptor: | ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Shaffer, P.L. | Deposit date: | 2024-01-02 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Discovery of Alternative Binding Poses through Fragment-Based Identification of DHODH Inhibitors. Acs Med.Chem.Lett., 15, 2024
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8VHM
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![BU of 8vhm by Molmil](/molmil-images/mine/8vhm) | Structure of DHODH in Complex with Fragment 2 | Descriptor: | ACETATE ION, CHLORIDE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Shaffer, P.L. | Deposit date: | 2024-01-02 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Discovery of Alternative Binding Poses through Fragment-Based Identification of DHODH Inhibitors. Acs Med.Chem.Lett., 15, 2024
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8G6L
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![BU of 8g6l by Molmil](/molmil-images/mine/8g6l) | HIV-1 capsid lattice bound to IP6, pH 6.2 | Descriptor: | Capsid protein | Authors: | Highland, C.M, Dick, R.A. | Deposit date: | 2023-02-15 | Release date: | 2023-05-03 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural insights into HIV-1 polyanion-dependent capsid lattice formation revealed by single particle cryo-EM. Proc.Natl.Acad.Sci.USA, 120, 2023
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8G6O
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![BU of 8g6o by Molmil](/molmil-images/mine/8g6o) | HIV-1 capsid lattice bound to IP6 and Lenacapavir | Descriptor: | Capsid protein | Authors: | Highland, C.M, Dick, R.A. | Deposit date: | 2023-02-15 | Release date: | 2023-05-03 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insights into HIV-1 polyanion-dependent capsid lattice formation revealed by single particle cryo-EM. Proc.Natl.Acad.Sci.USA, 120, 2023
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8G6K
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![BU of 8g6k by Molmil](/molmil-images/mine/8g6k) | |
8G6M
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![BU of 8g6m by Molmil](/molmil-images/mine/8g6m) | HIV-1 CA lattice bound to IP6, pH 7.4 | Descriptor: | Capsid protein | Authors: | Highland, C.M, Dick, R.A. | Deposit date: | 2023-02-15 | Release date: | 2023-05-03 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insights into HIV-1 polyanion-dependent capsid lattice formation revealed by single particle cryo-EM. Proc.Natl.Acad.Sci.USA, 120, 2023
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8G6N
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![BU of 8g6n by Molmil](/molmil-images/mine/8g6n) | HIV-1 capsid lattice bound to dNTPs | Descriptor: | Capsid protein | Authors: | Highland, C.M, Dick, R.A. | Deposit date: | 2023-02-15 | Release date: | 2023-05-03 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural insights into HIV-1 polyanion-dependent capsid lattice formation revealed by single particle cryo-EM. Proc.Natl.Acad.Sci.USA, 120, 2023
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7SU6
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![BU of 7su6 by Molmil](/molmil-images/mine/7su6) | DIHYDRONEOPTERIN ALDOLASE (DHNA) Lys98Ala FROM YERSINIA PESTIS CO-CRYSTALLIZED with 7,8-dihydroneopterin | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE, 7,8-dihydroneopterin aldolase | Authors: | Bourne, C.R. | Deposit date: | 2021-11-16 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | DIHYDRONEOPTERIN ALDOLASE (DHNA) Lys98Ala FROM YERSINIA PESTIS CO-CRYSTALLIZED with 7,8-dihydroneopterin To Be Published
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7SU4
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![BU of 7su4 by Molmil](/molmil-images/mine/7su4) | Dihydroneopterin aldolase (DHNA) Tyr53Phe from Yersinia pestis co-crystallized with 7,8-dihydroneopterin | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE, 7,8-dihydroneopterin aldolase, ... | Authors: | Bourne, C.R. | Deposit date: | 2021-11-16 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Dihydroneopterin aldolase (DHNA) Tyr53Phe from Yersinia pestis co-crystallized with 7,8-dihydroneopterin To Be Published
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7JJ9
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![BU of 7jj9 by Molmil](/molmil-images/mine/7jj9) | Crystal structure of Zn(II)-bound AdcA from Streptococcus pneumoniae | Descriptor: | CHLORIDE ION, ZINC ION, Zinc-binding lipoprotein AdcA | Authors: | Luo, Z, More, J.R, Kobe, B, McDevitt, C.A. | Deposit date: | 2020-07-24 | Release date: | 2020-12-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | A Trap-Door Mechanism for Zinc Acquisition by Streptococcus pneumoniae AdcA. Mbio, 12, 2021
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7JJ8
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![BU of 7jj8 by Molmil](/molmil-images/mine/7jj8) | Crystal structure of the Zn(II)-bound ZnuA-like domain of Streptococcus pneumoniae AdcA | Descriptor: | ZINC ION, Zinc-binding lipoprotein AdcA | Authors: | Luo, Z, More, J.R, Kobe, B, McDevitt, C.A. | Deposit date: | 2020-07-24 | Release date: | 2020-12-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | A Trap-Door Mechanism for Zinc Acquisition by Streptococcus pneumoniae AdcA. Mbio, 12, 2021
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7JJB
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![BU of 7jjb by Molmil](/molmil-images/mine/7jjb) | Crystal structure of Zn(II)-bound ZinT-like domain of Streptococcus pneumoniae AdcA | Descriptor: | MAGNESIUM ION, SODIUM ION, ZINC ION, ... | Authors: | Luo, Z, More, J.R, Kobe, B, McDevitt, C.A. | Deposit date: | 2020-07-24 | Release date: | 2020-12-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | A Trap-Door Mechanism for Zinc Acquisition by Streptococcus pneumoniae AdcA. Mbio, 12, 2021
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7JJA
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![BU of 7jja by Molmil](/molmil-images/mine/7jja) | Crystal structure of the ZinT-like domain of Streptococcus pneumoniae AdcA in the apo form | Descriptor: | SODIUM ION, Zinc-binding lipoprotein AdcA, {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID | Authors: | Luo, Z, More, J.R, Kobe, B, McDevitt, C.A. | Deposit date: | 2020-07-24 | Release date: | 2020-12-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | A Trap-Door Mechanism for Zinc Acquisition by Streptococcus pneumoniae AdcA. Mbio, 12, 2021
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2LVJ
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![BU of 2lvj by Molmil](/molmil-images/mine/2lvj) | solution structure of hemi-Mg-bound Phl p 7 | Descriptor: | MAGNESIUM ION, Polcalcin Phl p 7 | Authors: | Henzl, M.T, Tanner, J.J. | Deposit date: | 2012-07-05 | Release date: | 2012-10-03 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structures of polcalcin Phl p 7 in three ligation states: Apo-, hemi-Mg(2+) -bound, and fully Ca(2+) -bound. Proteins, 81, 2013
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7KR9
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![BU of 7kr9 by Molmil](/molmil-images/mine/7kr9) | Bifunctional enzyme GlmU bound to Zn(II) | Descriptor: | ACETYL COENZYME *A, Bifunctional protein GlmU, CALCIUM ION, ... | Authors: | Maher, M.J. | Deposit date: | 2020-11-19 | Release date: | 2021-12-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Dysregulation of Streptococcus pneumoniae zinc homeostasis breaks ampicillin resistance in a pneumonia infection model. Cell Rep, 38, 2022
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2LVI
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![BU of 2lvi by Molmil](/molmil-images/mine/2lvi) | Solution structure of apo-Phl p 7 | Descriptor: | Polcalcin Phl p 7 | Authors: | Henzl, M.T, Tanner, J.J. | Deposit date: | 2012-07-05 | Release date: | 2012-10-03 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structures of polcalcin Phl p 7 in three ligation states: Apo-, hemi-Mg(2+) -bound, and fully Ca(2+) -bound. Proteins, 81, 2013
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2LVK
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![BU of 2lvk by Molmil](/molmil-images/mine/2lvk) | Solution structure of Ca-bound Phl p 7 | Descriptor: | CALCIUM ION, Polcalcin Phl p 7 | Authors: | Henzl, M.T, Sirianni, A.G, Tanner, J.J. | Deposit date: | 2012-07-05 | Release date: | 2012-10-03 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structures of polcalcin Phl p 7 in three ligation states: Apo-, hemi-Mg(2+) -bound, and fully Ca(2+) -bound. Proteins, 81, 2013
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2KQY
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![BU of 2kqy by Molmil](/molmil-images/mine/2kqy) | Solution structure of Avian Thymic Hormone | Descriptor: | Parvalbumin, thymic | Authors: | Henzl, M.T. | Deposit date: | 2009-11-24 | Release date: | 2010-04-07 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Structure of Avian Thymic Hormone, a High-Affinity Avian beta-Parvalbumin, in the Ca(2+)-Free and Ca(2+)-Bound States. J.Mol.Biol., 397, 2010
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1DAT
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![BU of 1dat by Molmil](/molmil-images/mine/1dat) | CUBIC CRYSTAL STRUCTURE RECOMBINANT HORSE L APOFERRITIN | Descriptor: | CADMIUM ION, L FERRITIN | Authors: | Gallois, B, Granier, T, Langlois D'Estaintot, B, Crichton, R.R, Roland, F. | Deposit date: | 1996-11-14 | Release date: | 1997-03-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | X-ray structure of recombinant horse L-chain apoferritin at 2.0 angstrom resolution: Implications for stability and function. J.Biol.Inorg.Chem., 2, 1997
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7CID
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![BU of 7cid by Molmil](/molmil-images/mine/7cid) | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | 1-[3-(4-chlorophenyl)propyl]imidazole, DIMETHYL SULFOXIDE, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | Authors: | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | Deposit date: | 2020-07-07 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
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7CI4
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![BU of 7ci4 by Molmil](/molmil-images/mine/7ci4) | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | (2R)-2-azanyl-4-methylsulfonyl-N-[3-(trifluoromethyloxy)phenyl]butanamide, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | Deposit date: | 2020-07-07 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
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7CIC
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![BU of 7cic by Molmil](/molmil-images/mine/7cic) | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | 2-azanyl-N-[3-(trifluoromethyloxy)phenyl]ethanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | Deposit date: | 2020-07-07 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
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7CI9
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![BU of 7ci9 by Molmil](/molmil-images/mine/7ci9) | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-azanyl-2-[[4-[2-[3-[[2-[(1S)-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol, PHOSPHATE ION, ... | Authors: | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | Deposit date: | 2020-07-07 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
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