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2XOE
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BU of 2xoe by Molmil
Crystal structure of flavoprotein NrdI from Bacillus anthracis in the semiquinone form
Descriptor: ACETATE ION, CACODYLATE ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Johansson, R, Sprenger, J, Torrents, E, Sahlin, M, Sjoberg, B.M, Logan, D.T.
Deposit date:2010-08-14
Release date:2010-08-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High Resolution Crystal Structures of Nrdi in the Oxidised and Reduced States: An Unusual Flavodoxin
FEBS J., 277, 2010
8V35
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BU of 8v35 by Molmil
Crystal structure of HpsN from Cupriavidus pinatubonensis
Descriptor: 1,2-ETHANEDIOL, Sulfopropanediol 3-dehydrogenase, ZINC ION
Authors:Lee, M.
Deposit date:2023-11-27
Release date:2024-09-25
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural and kinetic insights into the stereospecific oxidation of R -2,3-dihydroxypropanesulfonate by DHPS-3-dehydrogenase from Cupriavidus pinatubonensis.
Chem Sci, 15, 2024
8V37
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BU of 8v37 by Molmil
Crystal structure of HpsN D352A mutant from Cupriavidus pinatubonensis in complex with NAD+
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Sulfopropanediol 3-dehydrogenase, ZINC ION
Authors:Lee, M.
Deposit date:2023-11-27
Release date:2024-09-25
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.228 Å)
Cite:Structural and kinetic insights into the stereospecific oxidation of R -2,3-dihydroxypropanesulfonate by DHPS-3-dehydrogenase from Cupriavidus pinatubonensis.
Chem Sci, 15, 2024
8V36
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BU of 8v36 by Molmil
Crystal structure of DHPS-3-dehydrogenase, HpsN from Cupriavidus pinatubonensis in complex with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Sulfopropanediol 3-dehydrogenase, ZINC ION
Authors:Lee, M.
Deposit date:2023-11-27
Release date:2024-09-25
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.235 Å)
Cite:Structural and kinetic insights into the stereospecific oxidation of R -2,3-dihydroxypropanesulfonate by DHPS-3-dehydrogenase from Cupriavidus pinatubonensis.
Chem Sci, 15, 2024
4EKX
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BU of 4ekx by Molmil
Crystal Structure of YLDV 14L IL-18 Binding Protein in Complex with Human IL-18
Descriptor: 14L protein, Interleukin-18
Authors:Krumm, B.E, Xiang, Y, Deng, J.
Deposit date:2012-04-10
Release date:2012-09-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A unique bivalent binding and inhibition mechanism by the yatapoxvirus interleukin 18 binding protein.
Plos Pathog., 8, 2012
2VNC
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BU of 2vnc by Molmil
Crystal structure of Glycogen Debranching enzyme TreX from Sulfolobus solfataricus
Descriptor: GLYCOGEN OPERON PROTEIN GLGX
Authors:Song, H.-N, Yoon, S.-M, Cha, H, Park, K.-T, Woo, E.-J.
Deposit date:2008-02-04
Release date:2008-07-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Insight Into the Bifunctional Mechanism of the Glycogen-Debranching Enzyme Trex from the Archaeon Sulfolobus Solfataricus.
J.Biol.Chem., 283, 2008
7AL7
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BU of 7al7 by Molmil
The Crystal Structure of Human IL-18 in Complex With Human IL-18 Binding Protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutathione S-transferase class-mu 26 kDa isozyme,Interleukin-18, Interleukin-18-binding protein
Authors:Detry, S, Andries, J, Bloch, Y, Clancy, D, Savvides, S.N.
Deposit date:2020-10-05
Release date:2022-04-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Structural basis of human IL-18 sequestration by the decoy receptor IL-18 binding protein in inflammation and tumor immunity.
J.Biol.Chem., 298, 2022
2VEO
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BU of 2veo by Molmil
X-ray structure of Candida antarctica lipase A in its closed state.
Descriptor: GLYCEROL, LIPASE A, TETRAETHYLENE GLYCOL, ...
Authors:Ericsson, D.J, Kasrayan, A, Johansson, P, Bergfors, T, Sandstrom, A.G, Backvall, J.E, Mowbray, S.L.
Deposit date:2007-10-25
Release date:2007-11-06
Last modified:2015-04-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-Ray Structure of Candida Antarctica Lipase a Shows a Novel Lid Structure and a Likely Mode of Interfacial Activation.
J.Mol.Biol., 376, 2008
7E35
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BU of 7e35 by Molmil
Crystal structure of the SARS-CoV-2 papain-like protease (PLPro) C112S mutant bound to compound S43
Descriptor: N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Non-structural protein 3, ZINC ION
Authors:Liu, J, Wang, Y, Xu, X, Pan, L.
Deposit date:2021-02-08
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Development of potent and selective inhibitors targeting the papain-like protease of SARS-CoV-2.
Cell Chem Biol, 28, 2021
4DKP
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BU of 4dkp by Molmil
Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with AWS-I-50
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl]-N'-(4-chloro-3-fluorophenyl)ethanediamide, ...
Authors:Kwon, Y.D, LaLonde, J.M, Jones, D.M, Sun, A.W, Courter, J.R, Soeta, T, Kobayashi, T, Princiotto, A.M, Wu, X, Mascola, J, Schon, A, Freire, E, Sodroski, J, Madani, N, Smith III, A.B, Kwong, P.D.
Deposit date:2012-02-03
Release date:2012-05-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.7978 Å)
Cite:Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors.
J.Med.Chem., 55, 2012
2XYQ
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BU of 2xyq by Molmil
Crystal structure of the nsp16 nsp10 SARS coronavirus complex
Descriptor: CHLORIDE ION, MAGNESIUM ION, NON-STRUCTURAL PROTEIN 10, ...
Authors:Decroly, E, Debarnot, C, Ferron, F, Bouvet, M, Coutard, B, Imbert, I, Gluais, L, Papageorgiou, N, Ortiz-Lombardia, M, Lescar, J, Canard, B.
Deposit date:2010-11-18
Release date:2011-10-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure and Functional Analysis of the Sars-Coronavirus RNA CAP 2'-O-Methyltransferase Nsp10/Nsp16 Complex.
Plos Pathog., 7, 2011
7BUJ
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BU of 7buj by Molmil
mcGAS bound with pppGpG
Descriptor: Cyclic GMP-AMP synthase, GUANOSINE-5'-MONOPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Wang, B, Su, X.D.
Deposit date:2020-04-07
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Mn2+Directly Activates cGAS and Structural Analysis Suggests Mn2+Induces a Noncanonical Catalytic Synthesis of 2'3'-cGAMP.
Cell Rep, 32, 2020
2Y1M
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BU of 2y1m by Molmil
Structure of native c-Cbl
Descriptor: CALCIUM ION, E3 UBIQUITIN-PROTEIN LIGASE, ZINC ION
Authors:Dou, H, Sibbet, G.J, Huang, D.T.
Deposit date:2010-12-08
Release date:2012-01-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structural Basis for Autoinhibition and Phosphorylation-Dependent Activation of C-Cbl.
Nat.Struct.Mol.Biol., 19, 2012
7DTP
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BU of 7dtp by Molmil
Crystal structure of agmatine coumaroyltransferase from Triticum aestivum
Descriptor: agmatine coumaroyltransferase
Authors:Yamane, M, Takenoya, M, Sue, M, Yajima, S.
Deposit date:2021-01-06
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular and structural characterization of agmatine coumaroyltransferase in Triticeae, the key regulator of hydroxycinnamic acid amide accumulation.
Phytochemistry, 189, 2021
4DKR
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BU of 4dkr by Molmil
Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with AWS-I-169
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 gp120 core, ...
Authors:Kwon, Y.D, LaLonde, J.M, Jones, D.M, Sun, A.W, Courter, J.R, Soeta, T, Kobayashi, T, Princiotto, A.M, Wu, X, Mascola, J, Schon, A, Freire, E, Sodroski, J, Madani, N, Smith III, A.B, Kwong, P.D.
Deposit date:2012-02-03
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors.
J.Med.Chem., 55, 2012
7T7N
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BU of 7t7n by Molmil
Structure of SPCC1393.13 protein from fission yeast
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, Damage-control phosphatase SPCC1393.13, PHOSPHATE ION
Authors:Jacewicz, A, Sanchez, A.M, Shuman, S.
Deposit date:2021-12-15
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate.
J.Biol.Chem., 298, 2022
7T7O
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BU of 7t7o by Molmil
Structure of SPAC806.04c protein from fission yeast covalently bound to BeF3
Descriptor: COBALT (II) ION, Damage-control phosphatase SPAC806.04c, PHOSPHATE ION
Authors:Jacewicz, A, Sanchez, A.M, Shuman, S.
Deposit date:2021-12-15
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate.
J.Biol.Chem., 298, 2022
7T7K
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BU of 7t7k by Molmil
Structure of SPAC806.04c protein from fission yeast bound to Co2+
Descriptor: CHLORIDE ION, COBALT (II) ION, Damage-control phosphatase SPAC806.04c, ...
Authors:Jacewicz, A, Sanchez, A.M, Shuman, S.
Deposit date:2021-12-15
Release date:2022-06-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate.
J.Biol.Chem., 298, 2022
7ESC
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BU of 7esc by Molmil
FmnB complexed with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, FAD:protein FMN transferase, MAGNESIUM ION
Authors:Cheng, W, Zheng, Y.H.
Deposit date:2021-05-10
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022
7ESA
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BU of 7esa by Molmil
the complex structure of flavin transferase FmnB complexed with FAD
Descriptor: FAD:protein FMN transferase, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION
Authors:Zheng, Y.H, Cheng, W.
Deposit date:2021-05-09
Release date:2021-11-03
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022
6KLK
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BU of 6klk by Molmil
Crystal structure of the Pseudomonas aeruginosa dihydropyrimidinase complexed with 5-FU
Descriptor: 5-FLUOROURACIL, D-hydantoinase/dihydropyrimidinase, ZINC ION
Authors:Huang, Y.H, Chen, I.C, Huang, C.Y.
Deposit date:2019-07-30
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.759 Å)
Cite:Crystal structure of dihydropyrimidinase in complex with anticancer drug 5-fluorouracil.
Biochem.Biophys.Res.Commun., 519, 2019
7ESB
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BU of 7esb by Molmil
FmnB complexed with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, FAD:protein FMN transferase, MAGNESIUM ION
Authors:Zheng, Y.H, Cheng, W.
Deposit date:2021-05-09
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022
7F39
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BU of 7f39 by Molmil
The structure of flavin transferase FmnB
Descriptor: FAD:protein FMN transferase
Authors:Cheng, W, Zheng, Y.H.
Deposit date:2021-06-15
Release date:2021-11-03
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.888 Å)
Cite:Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022
7F2U
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BU of 7f2u by Molmil
FmnB complexed with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, FAD:protein FMN transferase, MAGNESIUM ION
Authors:Cheng, W, Zheng, Y.H.
Deposit date:2021-06-14
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.984 Å)
Cite:Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022
7TZJ
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BU of 7tzj by Molmil
SARS CoV-2 PLpro in complex with inhibitor 3k
Descriptor: DIMETHYL SULFOXIDE, N-[(3-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Papain-like protease, ...
Authors:Calleja, D.J, Klemm, T, Lechtenberg, B.C, Kuchel, N.W, Lessene, G, Komander, D.
Deposit date:2022-02-15
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Insights Into Drug Repurposing, as Well as Specificity and Compound Properties of Piperidine-Based SARS-CoV-2 PLpro Inhibitors.
Front Chem, 10, 2022

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