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7ERM
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BU of 7erm by Molmil
Crystal structure of D-allulose 3-epimerase from Agrobacterium sp. SUL3
Descriptor: D-tagatose 3-epimerase, MAGNESIUM ION, SULFATE ION
Authors:Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M.
Deposit date:2021-05-06
Release date:2022-05-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Growth-Coupled Evolutionary Pressure Improving Epimerases for D-Allulose Biosynthesis Using a Biosensor-Assisted In Vivo Selection Platform
Adv Sci, 2024
7ERN
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BU of 7ern by Molmil
Crystal structure of D-allulose 3-epimerase with D-fructose from Agrobacterium sp. SUL3
Descriptor: D-fructose, D-tagatose 3-epimerase, MAGNESIUM ION
Authors:Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M.
Deposit date:2021-05-06
Release date:2022-05-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Growth-Coupled Evolutionary Pressure Improving Epimerases for D-Allulose Biosynthesis Using a Biosensor-Assisted In Vivo Selection Platform
Adv Sci, 2024
3MKA
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BU of 3mka by Molmil
Crystal Structure of Mycobacterium Tuberculosis Proteasome with propetide and an T1A mutation at beta-subunit
Descriptor: Proteasome subunit alpha, Proteasome subunit beta
Authors:Li, D, Li, H.
Deposit date:2010-04-14
Release date:2010-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural basis for the assembly and gate closure mechanisms of the Mycobacterium tuberculosis 20S proteasome.
Embo J., 29, 2010
3MI0
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BU of 3mi0 by Molmil
Crystal Structure of Mycobacterium Tuberculosis Proteasome at 2.2 A
Descriptor: (2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde, DIMETHYLFORMAMIDE, Proteasome subunit alpha, ...
Authors:Li, D, Li, H.
Deposit date:2010-04-09
Release date:2010-06-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the assembly and gate closure mechanisms of the Mycobacterium tuberculosis 20S proteasome.
Embo J., 2010
3MGM
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BU of 3mgm by Molmil
Crystal structure of human NUDT16
Descriptor: U8 snoRNA-decapping enzyme
Authors:Yan, J, Lu, G, Zhang, J, Qi, J, Li, Z, Gao, F.
Deposit date:2010-04-07
Release date:2011-04-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Crystal structure and the template mRNA decapping activity of human NUDT16
To be Published
6KVA
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BU of 6kva by Molmil
Structure of anti-hCXCR2 abN48-2 in complex with its CXCR2 epitope
Descriptor: 1,2-ETHANEDIOL, Peptide from C-X-C chemokine receptor type 2, heavy chain, ...
Authors:Xiang, J.C, Yan, L, Yang, B, Wilson, I.A.
Deposit date:2019-09-03
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Selection of a picomolar antibody that targets CXCR2-mediated neutrophil activation and alleviates EAE symptoms.
Nat Commun, 12, 2021
6KVF
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BU of 6kvf by Molmil
Structure of anti-hCXCR2 abN48 in complex with its CXCR2 epitope
Descriptor: Peptide from C-X-C chemokine receptor type 2, heavy chain, light chain
Authors:Xiang, J.C, Yan, L, Yang, B, Wilson, I.A.
Deposit date:2019-09-04
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Selection of a picomolar antibody that targets CXCR2-mediated neutrophil activation and alleviates EAE symptoms.
Nat Commun, 12, 2021
3RFZ
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BU of 3rfz by Molmil
Crystal structure of the FimD usher bound to its cognate FimC:FimH substrate
Descriptor: Chaperone protein fimC, Outer membrane usher protein, type 1 fimbrial synthesis, ...
Authors:Phan, G, Remaut, H, Lebedev, A, Geibel, S, Waksman, G.
Deposit date:2011-04-07
Release date:2011-06-01
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the FimD usher bound to its cognate FimC-FimH substrate.
Nature, 474, 2011
5B7J
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BU of 5b7j by Molmil
Structure model of Sap1-DNA complex
Descriptor: DNA (5'-D(*AP*AP*TP*AP*TP*TP*GP*TP*TP*TP*TP*G)-3'), DNA (5'-D(*CP*AP*AP*AP*AP*CP*AP*AP*TP*AP*TP*T)-3'), Switch-activating protein 1
Authors:Jin, C, Hu, Y, Ding, J, Zhang, Y.
Deposit date:2016-06-07
Release date:2017-02-22
Last modified:2017-05-24
Method:SOLUTION NMR
Cite:Sap1 is a replication-initiation factor essential for the assembly of pre-replicative complex in the fission yeast Schizosaccharomyces pombe
J. Biol. Chem., 292, 2017
5DJ4
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BU of 5dj4 by Molmil
Leucine-bound Sestrin2 from Homo sapiens
Descriptor: LEUCINE, Sestrin-2
Authors:Saxton, R.A, Knockenhauer, K.E, Schwartz, T.U.
Deposit date:2015-09-01
Release date:2015-11-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.697 Å)
Cite:Structural basis for leucine sensing by the Sestrin2-mTORC1 pathway.
Science, 351, 2016
4NCM
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BU of 4ncm by Molmil
Influenza polymerase basic protein 2 (PB2) bound to a small-molecule inhibitor
Descriptor: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N,N-dimethyl-L-alaninamide, Polymerase basic protein 2
Authors:Jacobs, M.D.
Deposit date:2013-10-24
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
4NCE
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BU of 4nce by Molmil
Influenza polymerase basic protein 2 (PB2) bound to 7-methyl-GTP
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, 9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid, Polymerase basic protein 2
Authors:Jacobs, M.D.
Deposit date:2013-10-24
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
5FAD
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BU of 5fad by Molmil
SAH complex with aKMT from the hyperthermophilic archaeon Sulfolobus islandicus
Descriptor: MAGNESIUM ION, Ribosomal protein L11 methyltransferase, putative, ...
Authors:Ouyang, S.
Deposit date:2015-12-11
Release date:2016-06-29
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:aKMT Catalyzes Extensive Protein Lysine Methylation in the Hyperthermophilic Archaeon Sulfolobus islandicus but is Dispensable for the Growth of the Organism
Mol.Cell Proteomics, 15, 2016
5FA8
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BU of 5fa8 by Molmil
SAM complex with aKMT from the hyperthermophilic archaeon Sulfolobus islandicu
Descriptor: MAGNESIUM ION, Ribosomal protein L11 methyltransferase, putative, ...
Authors:Ouyang, S.
Deposit date:2015-12-11
Release date:2016-06-29
Last modified:2016-09-14
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:aKMT Catalyzes Extensive Protein Lysine Methylation in the Hyperthermophilic Archaeon Sulfolobus islandicus but is Dispensable for the Growth of the Organism
Mol.Cell Proteomics, 15, 2016
4P1U
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BU of 4p1u by Molmil
Influenza A (flu) virus polymerase basic protein 2 (PB2) bound to VX787, an azaindole inhibitor
Descriptor: (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2
Authors:Jacobs, M.D.
Deposit date:2014-02-27
Release date:2014-07-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
4P6J
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BU of 4p6j by Molmil
Crystal Structure of the Computationally Designed Transmembrane Metallotransporter with 4-bromophenylalanine in Octyl Glucoside
Descriptor: Computationally Designed Transporter of Zn(II) and Proton, SULFATE ION
Authors:Joh, N.H, Acharya, R, DeGrado, W.F.
Deposit date:2014-03-25
Release date:2014-12-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:De novo design of a transmembrane Zn2+-transporting four-helix bundle.
Science, 346, 2014
4P6K
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BU of 4p6k by Molmil
Crystal Structure of the Computationally Designed Transmembrane Metallotransporter with 4-bromophenylalanine in Lipidic Cubic Phase
Descriptor: Computationally Designed Transporter of Zn(II) and Proton
Authors:Joh, N.H, Acharya, R, DeGrado, W.F.
Deposit date:2014-03-25
Release date:2014-12-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.704 Å)
Cite:De novo design of a transmembrane Zn2+-transporting four-helix bundle.
Science, 346, 2014
4PS7
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BU of 4ps7 by Molmil
Structure of PI3K gamma in complex with N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide
Descriptor: N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Griffith, J.P.
Deposit date:2014-03-06
Release date:2014-05-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structural Basis for Isoform Selectivity in a Class of Benzothiazole Inhibitors of Phosphoinositide 3-Kinase gamma.
J.Med.Chem., 58, 2015
4PS3
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BU of 4ps3 by Molmil
Structure of PI3K gamma in complex with 1-[6-(5-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl]-3-[2-(1-propyl-1H-imidazol-4-yl)ethyl]urea
Descriptor: 1-[6-(5-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl]-3-[2-(1-propyl-1H-imidazol-4-yl)ethyl]urea, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Griffith, J.P.
Deposit date:2014-03-06
Release date:2014-05-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Basis for Isoform Selectivity in a Class of Benzothiazole Inhibitors of Phosphoinositide 3-Kinase gamma.
J.Med.Chem., 58, 2015
4P6L
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BU of 4p6l by Molmil
Crystal Structure of the Computationally Designed Transmembrane Metallotransporter in Octyl Glucoside
Descriptor: Computationally Designed Transporter of Zn(II) and proton
Authors:Joh, N.H, Acharya, R, DeGrado, W.F.
Deposit date:2014-03-25
Release date:2014-12-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.803 Å)
Cite:De novo design of a transmembrane Zn2+-transporting four-helix bundle.
Science, 346, 2014
4PPE
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BU of 4ppe by Molmil
human RNF4 RING domain
Descriptor: E3 ubiquitin-protein ligase RNF4, ZINC ION
Authors:Perry, J.J, Arvai, A.S, Hitomi, C, Tainer, J.A.
Deposit date:2014-02-26
Release date:2014-03-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:RNF4 interacts with both SUMO and nucleosomes to promote the DNA damage response.
Embo Rep., 15, 2014
4PS8
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BU of 4ps8 by Molmil
Structure of PI3K gamma in complex with N-[6-(5,6-dimethoxypyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide
Descriptor: N-[6-(5,6-dimethoxypyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Griffith, J.P.
Deposit date:2014-03-06
Release date:2014-05-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Structural Basis for Isoform Selectivity in a Class of Benzothiazole Inhibitors of Phosphoinositide 3-Kinase gamma.
J.Med.Chem., 58, 2015
5XNE
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BU of 5xne by Molmil
X-ray Crystal Structure of alpha-acetolactate decarboxylase from Bacillus subtilis strain 168
Descriptor: Alpha-acetolactate decarboxylase, ZINC ION
Authors:Ji, F, Li, M, Feng, Y.
Deposit date:2017-05-22
Release date:2018-08-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Structural and enzymatic characterization of acetolactate decarboxylase from Bacillus subtilis
Appl. Microbiol. Biotechnol., 102, 2018
5Y0G
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BU of 5y0g by Molmil
Crystal structure of human FABP4 complexed with ligand 4-Fluoro-3-((4-methoxynaphthalene)-1-sulfonamido) benzoic acid
Descriptor: 4-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Liu, Q.F, Xu, Y.C.
Deposit date:2017-07-17
Release date:2018-06-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.542 Å)
Cite:From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4
Eur J Med Chem, 154, 2018
5Y0X
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BU of 5y0x by Molmil
Crystal structure of human FABP4 complexed with ligand 2-fluoro-3-((4-methoxynaphthalene)-1-sulfonamido)benzoic acid
Descriptor: 2-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Liu, Q.F, Xu, Y.C.
Deposit date:2017-07-19
Release date:2018-06-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.604 Å)
Cite:From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4
Eur J Med Chem, 154, 2018

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