7O1S
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![BU of 7o1s by Molmil](/molmil-images/mine/7o1s) | Complex-B bound [FeFe]-hydrogenase maturase HydE fromT. Maritima (Wild-type protein) | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CARBON MONOXIDE, CYANIDE ION, ... | Authors: | Rohac, R, Martin, L, Liu, L, Basu, D, Tao, L, Britt, R.D, Rauchfuss, T, Nicolet, Y. | Deposit date: | 2021-03-30 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Crystal Structure of the [FeFe]-Hydrogenase Maturase HydE Bound to Complex-B. J.Am.Chem.Soc., 143, 2021
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5Y8J
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![BU of 5y8j by Molmil](/molmil-images/mine/5y8j) | Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + (R)-3-hydroxyisobutyrate (R-HIBA) | Descriptor: | (2R)-3-HYDROXY-2-METHYLPROPANOIC ACID, (2~{S})-2-methylpentanedioic acid, ACRYLIC ACID, ... | Authors: | Srikalaivani, R, Singh, A, Surolia, A, Vijayan, M. | Deposit date: | 2017-08-21 | Release date: | 2018-07-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structure, interactions and action ofMycobacterium tuberculosis3-hydroxyisobutyric acid dehydrogenase. Biochem. J., 475, 2018
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7O1T
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![BU of 7o1t by Molmil](/molmil-images/mine/7o1t) | Fe(CO)2CNCl species bound [HydE from T. Maritima | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CARBON MONOXIDE, CHLORIDE ION, ... | Authors: | Rohac, R, Martin, L, Liu, L, Basu, D, Tao, L, Britt, R.D, Rauchfuss, T, Nicolet, Y. | Deposit date: | 2021-03-30 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of the [FeFe]-Hydrogenase Maturase HydE Bound to Complex-B. J.Am.Chem.Soc., 143, 2021
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7O1O
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![BU of 7o1o by Molmil](/molmil-images/mine/7o1o) | Complex-B bound [FeFe]-hydrogenase maturase HydE fromT. Maritima (Auxiliary cluster deleted variant) | Descriptor: | CARBON MONOXIDE, CHLORIDE ION, CYANIDE ION, ... | Authors: | Rohac, R, Martin, L, Liu, L, Basu, D, Tao, L, Britt, R.D, Rauchfuss, T, Nicolet, Y. | Deposit date: | 2021-03-30 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystal Structure of the [FeFe]-Hydrogenase Maturase HydE Bound to Complex-B. J.Am.Chem.Soc., 143, 2021
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6YTK
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![BU of 6ytk by Molmil](/molmil-images/mine/6ytk) | |
5YCU
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![BU of 5ycu by Molmil](/molmil-images/mine/5ycu) | Domain swapped dimer of engineered hairpin loop1 mutant in Single-chain Monellin | Descriptor: | Single chain monellin | Authors: | Surana, P, Nandwani, N, Udgaonkar, J.B, Gosavi, S, Das, R. | Deposit date: | 2017-09-08 | Release date: | 2018-11-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | A five-residue motif for the design of domain swapping in proteins. Nat Commun, 10, 2019
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6YTX
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![BU of 6ytx by Molmil](/molmil-images/mine/6ytx) | |
5YD8
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![BU of 5yd8 by Molmil](/molmil-images/mine/5yd8) | |
6YSO
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![BU of 6yso by Molmil](/molmil-images/mine/6yso) | Crystal structure of the (SR) Ca2+-ATPase solved by vanadium SAD phasing | Descriptor: | CHLORIDE ION, MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ... | Authors: | El Omari, K, Mohamad, N, Bountra, K, Duman, R, Romano, M, Schlegel, K, Kwong, H, Mykhaylyk, V, Olesen, C.E, Moller, J.V, Bublitz, M, Beis, K, Wagner, A. | Deposit date: | 2020-04-22 | Release date: | 2020-11-04 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.13 Å) | Cite: | Experimental phasing with vanadium and application to nucleotide-binding membrane proteins. Iucrj, 7, 2020
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6YUX
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![BU of 6yux by Molmil](/molmil-images/mine/6yux) | Crystal structure of Malus domestica Double Bond Reductase (MdDBR) ternary complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, ... | Authors: | Caliandro, R, Polsinelli, I, Demitri, N, Benini, S. | Deposit date: | 2020-04-27 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | The structural and functional characterization of Malus domestica double bond reductase MdDBR provides insights towards the identification of its substrates. Int.J.Biol.Macromol., 171, 2021
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5YFI
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![BU of 5yfi by Molmil](/molmil-images/mine/5yfi) | Crystal structure of the anti-human prostaglandin E receptor EP4 antibody Fab fragment | Descriptor: | Heavy chain of Fab fragment, Light chain of Fab fragment, ZINC ION | Authors: | Toyoda, Y, Morimoto, K, Suno, R, Horita, S, Iwata, S, Kobayashi, T. | Deposit date: | 2017-09-21 | Release date: | 2018-12-05 | Last modified: | 2019-03-06 | Method: | X-RAY DIFFRACTION (1.848 Å) | Cite: | Ligand binding to human prostaglandin E receptor EP4at the lipid-bilayer interface. Nat. Chem. Biol., 15, 2019
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6YWP
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![BU of 6ywp by Molmil](/molmil-images/mine/6ywp) | Structure of apo-CutA | Descriptor: | CutA, MAGNESIUM ION | Authors: | Malik, D, Kobylecki, K, Krawczyk, P, Poznanski, J, Jakielaszek, A, Napiorkowska, A, Dziembowski, A, Tomecki, R, Nowotny, M. | Deposit date: | 2020-04-29 | Release date: | 2020-08-05 | Last modified: | 2020-09-30 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure and mechanism of CutA, RNA nucleotidyl transferase with an unusual preference for cytosine. Nucleic Acids Res., 48, 2020
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6YTQ
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5YO1
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![BU of 5yo1 by Molmil](/molmil-images/mine/5yo1) | Structure of ePepN E298A mutant in complex with Puromycin | Descriptor: | Aminopeptidase N, GLYCEROL, PUROMYCIN, ... | Authors: | Ganji, R.J, Reddi, R, Marapaka, A.K, Addlagatta, A. | Deposit date: | 2017-10-26 | Release date: | 2018-11-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Puromycin, a selective inhibitor of PSA acts as a substrate for other M1 family aminopeptidases: Biochemical and structural basis Int.J.Biol.Macromol., 165, 2020
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5YPO
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![BU of 5ypo by Molmil](/molmil-images/mine/5ypo) | Crystal structure of PSD-95 GK domain in complex with phospho-SAPAP peptide | Descriptor: | Disks large homolog 4, GLYCEROL, SAPAP | Authors: | Zhu, J, Zhou, Q, Shang, Y, Weng, Z, Zhang, R, Zhang, M. | Deposit date: | 2017-11-02 | Release date: | 2018-03-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Synaptic Targeting and Function of SAPAPs Mediated by Phosphorylation-Dependent Binding to PSD-95 MAGUKs. Cell Rep, 21, 2017
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6YT1
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![BU of 6yt1 by Molmil](/molmil-images/mine/6yt1) | Mtb TMK crystal structure in complex with compound 26 | Descriptor: | 2-ethyl-~{N}-[[4-[4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]piperidin-1-yl]phenyl]methyl]-1,2,3,5,6,7,8,8~{a}-octahydroimidazo[1,2-a]pyridine-3-carboxamide, CITRIC ACID, Thymidylate kinase | Authors: | Merceron, R, De Munck, S, Jian, Y, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S.N. | Deposit date: | 2020-04-23 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Endeavors towards transformation of M. tuberculosis thymidylate kinase (MtbTMPK) inhibitors into potential antimycobacterial agents. Eur.J.Med.Chem., 206, 2020
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6YU5
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![BU of 6yu5 by Molmil](/molmil-images/mine/6yu5) | Crystal structure of MhsT in complex with L-valine | Descriptor: | DODECYL-BETA-D-MALTOSIDE, SODIUM ION, Sodium-dependent transporter, ... | Authors: | Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P. | Deposit date: | 2020-04-25 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition. Embo J., 40, 2021
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7O9J
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![BU of 7o9j by Molmil](/molmil-images/mine/7o9j) | Crystal structure of DyP-type peroxidase from Dictyostelium discoideum in complex with an activated form of oxygen | Descriptor: | 1,2-ETHANEDIOL, DyPA, OXYGEN MOLECULE, ... | Authors: | Rai, A, Fedorov, R, Manstein, D.J. | Deposit date: | 2021-04-16 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Biochemical Characterization of a Dye-Decolorizing Peroxidase from Dictyostelium discoideum . Int J Mol Sci, 22, 2021
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5YCW
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![BU of 5ycw by Molmil](/molmil-images/mine/5ycw) | Double domain swapped dimer of engineered hairpin loop1 and loop3 mutant in Single-chain Monellin | Descriptor: | single chain monellin | Authors: | Surana, P, Nandwani, N, Udgaonkar, J.B, Gosavi, S, Das, R. | Deposit date: | 2017-09-08 | Release date: | 2018-11-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.285 Å) | Cite: | A five-residue motif for the design of domain swapping in proteins. Nat Commun, 10, 2019
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7O9L
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![BU of 7o9l by Molmil](/molmil-images/mine/7o9l) | Dictyostelium discoideum dye decolorizing peroxidase DyPA in complex with cyanide. | Descriptor: | 1,2-ETHANEDIOL, CYANIDE ION, DyPA, ... | Authors: | Rai, A, Fedorov, R, Manstein, D.J. | Deposit date: | 2021-04-16 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and Biochemical Characterization of a Dye-Decolorizing Peroxidase from Dictyostelium discoideum . Int J Mol Sci, 22, 2021
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6YUV
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![BU of 6yuv by Molmil](/molmil-images/mine/6yuv) | Capsule O-acetyltransferase of Neisseria meningitidis serogroup A | Descriptor: | CHLORIDE ION, SacC, TRIETHYLENE GLYCOL | Authors: | Cramer, J.T, Fiebig, T, Fedorov, R, Muehlenhoff, M. | Deposit date: | 2020-04-27 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and mechanistic basis of capsule O-acetylation in Neisseria meningitidis serogroup A. Nat Commun, 11, 2020
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6YVT
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![BU of 6yvt by Molmil](/molmil-images/mine/6yvt) | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with MD-253 | Descriptor: | 2-[[5-(6-methoxynaphthalen-2-yl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Egl nine homolog 1, GLYCEROL, ... | Authors: | Chowdhury, R, Demetriades, M, Schofield, C.J. | Deposit date: | 2020-04-28 | Release date: | 2020-05-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.847 Å) | Cite: | Dynamic combinatorial chemistry employing boronic acids/boronate esters leads to potent oxygenase inhibitors. Angew.Chem.Int.Ed.Engl., 51, 2012
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7ODZ
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![BU of 7odz by Molmil](/molmil-images/mine/7odz) | Dictyostelium discoideum dye decolorizing peroxidase DyPA in complex with an activated form of oxygen and veratryl alcohol | Descriptor: | 1,2-ETHANEDIOL, DyPA, OXYGEN MOLECULE, ... | Authors: | Rai, A, Fedorov, R, Manstein, D.J. | Deposit date: | 2021-04-30 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and Biochemical Characterization of a Dye-Decolorizing Peroxidase from Dictyostelium discoideum . Int J Mol Sci, 22, 2021
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5YTU
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![BU of 5ytu by Molmil](/molmil-images/mine/5ytu) | |
5XYY
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![BU of 5xyy by Molmil](/molmil-images/mine/5xyy) | The structure of p38 alpha in complex with a triazol inhibitor | Descriptor: | 3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4H-1,2,4-triazol-3-yl)phenol, Mitogen-activated protein kinase 14 | Authors: | Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N. | Deposit date: | 2017-07-11 | Release date: | 2018-01-17 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery. J. Med. Chem., 60, 2017
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