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4Y6K
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BU of 4y6k by Molmil
Complex structure of presenilin homologue PSH bound to an inhibitor
Descriptor: N-{(2R,4S,5S)-2-benzyl-5-[(tert-butoxycarbonyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-leucyl-L-phenylalaninamide, Uncharacterized protein PSH
Authors:Dang, S, Wu, S, Wang, J, Shi, Y.
Deposit date:2015-02-13
Release date:2015-03-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.855 Å)
Cite:Cleavage of amyloid precursor protein by an archaeal presenilin homologue PSH
Proc.Natl.Acad.Sci.USA, 112, 2015
3JTU
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BU of 3jtu by Molmil
Crystal structure of macrophage migration inhibitory factor (mif) with hydroxyquinoline inhibitor 708 at 1.86a resolution
Descriptor: 7-(pyridin-2-ylmethyl)quinolin-8-ol, Macrophage migration inhibitory factor, SULFATE ION
Authors:Mclean, L, Zhang, Y.
Deposit date:2009-09-14
Release date:2009-11-10
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening.
Bioorg.Med.Chem.Lett., 19, 2009
6LNA
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BU of 6lna by Molmil
YdiU complex with AMPNPP and Mn2+
Descriptor: CALCIUM ION, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Li, B, Yang, Y, Ma, Y.
Deposit date:2019-12-28
Release date:2020-12-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:The YdiU Domain Modulates Bacterial Stress Signaling through Mn 2+ -Dependent UMPylation.
Cell Rep, 32, 2020
3JSF
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BU of 3jsf by Molmil
Crystal structure of macrophage migration inhibitory factor (mif) with hydroxyquinoline inhibitor 638 at 1.93a resolution
Descriptor: 7-(2-fluorobenzyl)quinolin-8-ol, Macrophage migration inhibitory factor, SULFATE ION
Authors:Mclean, L, Zhang, Y.
Deposit date:2009-09-10
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening.
Bioorg.Med.Chem.Lett., 19, 2009
2Q8Y
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BU of 2q8y by Molmil
Structural insight into the enzymatic mechanism of the phophothreonine lyase
Descriptor: 27.5 kDa virulence protein, Mitogen-activated protein kinase 7
Authors:Zhu, Y.-Q, Wang, D.-C, Shao, F.
Deposit date:2007-06-12
Release date:2007-12-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into the enzymatic mechanism of the pathogenic MAPK phosphothreonine lyase
Mol.Cell, 28, 2007
6J0Z
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BU of 6j0z by Molmil
Crystal structure of AlpK
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putative angucycline-like polyketide oxygenase
Authors:Wang, W, Liu, Y, Liang, H.
Deposit date:2018-12-27
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.889 Å)
Cite:Crystal structure of AlpK: An essential monooxygenase involved in the biosynthesis of kinamycin
Biochem. Biophys. Res. Commun., 510, 2019
1G3G
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BU of 1g3g by Molmil
NMR STRUCTURE OF THE FHA1 DOMAIN OF YEAST RAD53
Descriptor: PROTEIN KINASE SPK1
Authors:Yuan, C, Liao, H, Su, M, Yongkiettrakul, S, Byeon, I.-J.L, Tsai, M.-D.
Deposit date:2000-10-24
Release date:2001-01-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the FHA1 domain of yeast Rad53 and identification of binding sites for both FHA1 and its target protein Rad9
J.Mol.Biol., 304, 2000
8Y6F
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BU of 8y6f by Molmil
The crystal structure of MMPs cleavable human heavy chain ferritin
Descriptor: CHLORIDE ION, FE (III) ION, Ferritin, ...
Authors:Yuan, C, Huang, M.
Deposit date:2024-02-02
Release date:2024-07-17
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Engineered protein cages with enhanced extracellular drug release for elevated antitumor efficacy.
Int.J.Biol.Macromol., 267, 2024
5I5H
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BU of 5i5h by Molmil
Ecoli global domain 245-586
Descriptor: Inner membrane protein YejM
Authors:Dong, C, Dong, H.
Deposit date:2016-02-15
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into cardiolipin transfer from the Inner membrane to the outer membrane by PbgA in Gram-negative bacteria.
Sci Rep, 6, 2016
5IE7
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BU of 5ie7 by Molmil
Crystal structure of a lactonase double mutant in complex with substrate b
Descriptor: (3S,7S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase
Authors:Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2016-02-25
Release date:2017-01-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering
Acs Catalysis, 6, 2016
5IE6
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BU of 5ie6 by Molmil
Crystal structure of a lactonase mutant in complex with substrate b
Descriptor: (3S,7S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase
Authors:Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2016-02-25
Release date:2017-01-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering
Acs Catalysis, 6, 2016
5IE4
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BU of 5ie4 by Molmil
Crystal structure of a lactonase mutant in complex with substrate a
Descriptor: (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase
Authors:Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2016-02-25
Release date:2017-01-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering
Acs Catalysis, 6, 2016
5IE5
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BU of 5ie5 by Molmil
Crystal structure of a lactonase double mutant in complex with substrate a
Descriptor: (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase
Authors:Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2016-02-25
Release date:2017-01-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering
Acs Catalysis, 6, 2016
6UL8
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BU of 6ul8 by Molmil
RIP2 kinase catalytic domain complex with (5S,6S,8R)-2-(benzo[d]thiazol-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro-5,8-methanopyrazolo[1,5-a][1,3]diazocine-3-carboxamide
Descriptor: (5S,6S,8R)-2-(1,3-benzothiazol-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro-5,8-methanopyrazolo[1,5-a][1,3]diazocine-3-carboxamide, CALCIUM ION, Receptor-interacting serine/threonine-protein kinase 2
Authors:Shewchuk, L.M, Convery, M.A.
Deposit date:2019-10-07
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Discovery of Pyrazolocarboxamides as Potent and Selective Receptor Interacting Protein 2 (RIP2) Kinase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
4IPX
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BU of 4ipx by Molmil
Analyzing the visible conformational substates of the FK506 binding protein FKBP12
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Peptidyl-prolyl cis-trans isomerase FKBP1A
Authors:Chen, H, Mustafi, S.M, Li, H.M, LeMaster, D.M, Hernandez, G.
Deposit date:2013-01-10
Release date:2013-06-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Analysing the visible conformational substates of the FK506-binding protein FKBP12.
Biochem.J., 453, 2013
6IGB
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BU of 6igb by Molmil
the structure of Pseudomonas aeruginosa Periplasmic gluconolactonase, PpgL
Descriptor: ACETATE ION, Periplasmic gluconolactonase, PpgL, ...
Authors:Song, Y.J, Shen, Y.L, Wang, K.L, Li, T, Zhu, Y.B, Li, C.C, He, L.H, Zhao, N.L, Zhao, C, Yang, J, Huang, Q, Mu, X.Y.
Deposit date:2018-09-25
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:Structural and Functional Insights into PpgL, a Metal-Independent beta-Propeller Gluconolactonase That Contributes toPseudomonas aeruginosaVirulence.
Infect.Immun., 87, 2019
5I5F
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BU of 5i5f by Molmil
Salmonella global domain 191
Descriptor: Inner membrane protein YejM
Authors:Dong, C, Dong, H.
Deposit date:2016-02-15
Release date:2016-08-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural insights into cardiolipin transfer from the Inner membrane to the outer membrane by PbgA in Gram-negative bacteria.
Sci Rep, 6, 2016
5KWA
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BU of 5kwa by Molmil
complete structure of the Mycobacterium tuberculosis proteasomal ATPase Mpa
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Proteasome-associated ATPase
Authors:Wang, T, WU, Y.J.
Deposit date:2016-07-17
Release date:2017-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Mycobacterium tuberculosis proteasomal ATPase Mpa has a beta-grasp domain that hinders docking with the proteasome core protease
Mol. Microbiol., 105, 2017
5UN8
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BU of 5un8 by Molmil
Crystal Structure of human O-GlcNAcase in complex with glycopeptide p53
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, P53 peptide, Protein O-GlcNAcase
Authors:Li, B, Jiang, J.
Deposit date:2017-01-30
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structures of human O-GlcNAcase and its complexes reveal a new substrate recognition mode.
Nat. Struct. Mol. Biol., 24, 2017
5UN9
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BU of 5un9 by Molmil
The crystal structure of human O-GlcNAcase in complex with Thiamet-G
Descriptor: (3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL, Protein O-GlcNAcase
Authors:Li, B, Jiang, J.
Deposit date:2017-01-30
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of human O-GlcNAcase and its complexes reveal a new substrate recognition mode.
Nat. Struct. Mol. Biol., 24, 2017
5TKE
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BU of 5tke by Molmil
Crystal Structure of Eukaryotic Hydrolase
Descriptor: O-GlcNAcase: chimera construct
Authors:Li, B, Jiang, J.
Deposit date:2016-10-06
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.481 Å)
Cite:Structures of human O-GlcNAcase and its complexes reveal a new substrate recognition mode.
Nat. Struct. Mol. Biol., 24, 2017
3KPH
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BU of 3kph by Molmil
Crystal structure of Mycoplasma arthritidis-derived mitogen
Descriptor: PHOSPHATE ION, Superantigen
Authors:Liu, L.H, Li, H.M.
Deposit date:2009-11-16
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the Mycoplasma arthritidis-Derived Mitogen in Apo Form Reveals a 3D Domain-Swapped Dimer.
J.Mol.Biol., 399, 2010
5IMX
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BU of 5imx by Molmil
Anaplastic lymphoma kinase (ALK) catalytic domain complexed with novel inhibitor 3-sulfonylpyrazol-4-amino pyrimidine
Descriptor: 5-chloro-N~2~-{5-methyl-4-(1-methylpiperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-N~4~-{1-methyl-3-[(propan-2-yl)sulfonyl]-1H-pyrazol-4-yl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor
Authors:Wang, C, Zhang, P, Dong, J.
Deposit date:2016-03-07
Release date:2016-05-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Design and synthesis of novel 3-sulfonylpyrazol-4-amino pyrimidines as potent anaplastic lymphoma kinase (ALK) inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
4FWV
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BU of 4fwv by Molmil
Crystal structure of the N-terminal domain of the Lon-like protease MtaLonC
Descriptor: SULFATE ION, TTC1975 peptidase
Authors:Chang, C.I, Li, J.K, Kuo, C.I, Huang, K.F.
Deposit date:2012-07-02
Release date:2013-06-26
Last modified:2014-03-12
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The N-terminal substrate-recognition domain of a LonC protease exhibits structural and functional similarity to cytosolic chaperones
Acta Crystallogr.,Sect.D, 69, 2013
4Z62
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BU of 4z62 by Molmil
The plant peptide hormone free receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Phytosulfokine receptor 1
Authors:Chai, J, Wang, J, Han, Z.
Deposit date:2015-04-03
Release date:2016-03-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Allosteric receptor activation by the plant peptide hormone phytosulfokine
Nature, 525, 2015

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