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5D0Z
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BU of 5d0z by Molmil
Yeast 20S proteasome beta5-T1S mutant in complex with Carfilzomib
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2015-08-03
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016
5D0T
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BU of 5d0t by Molmil
Yeast 20S proteasome beta5-D166N mutant in complex with MG132
Descriptor: CHLORIDE ION, MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2015-08-03
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016
2I03
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BU of 2i03 by Molmil
Crystal structure of human dipeptidyl peptidase 4 (DPP IV) with potent alkynyl cyanopyrrolidine (ABT-279)
Descriptor: 2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)-4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID, Dipeptidyl peptidase 4
Authors:Longenecker, K.L, Madar, D.J.
Deposit date:2006-08-09
Release date:2006-12-12
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of 2-[4-{{2-(2S,5R)-2-cyano-5-ethynyl-1-pyrrolidinyl]-2-oxoethyl]amino]- 4-methyl-1-piperidinyl]-4-pyridinecarboxylic acid (ABT-279): a very potent, selective, effective, and well-tolerated inhibitor of dipeptidyl peptidase-IV, useful for the treatment of diabetes.
J.Med.Chem., 49, 2006
3HW3
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BU of 3hw3 by Molmil
The crystal structure of avian influenza virus PA_N in complex with UMP
Descriptor: MAGNESIUM ION, Polymerase acidic protein, URIDINE-5'-MONOPHOSPHATE
Authors:Zhao, C, Lou, Z, Guo, Y, Ma, M, Chen, Y, Rao, Z.
Deposit date:2009-06-17
Release date:2009-10-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Nucleoside monophosphate complex structures of the endonuclease domain from the influenza virus polymerase PA subunit reveal the substrate binding site inside the catalytic center
J.Virol., 83, 2009
6ADM
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BU of 6adm by Molmil
Anthrax Toxin Receptor 1-bound full particles of Seneca Valley Virus in acidic conditions
Descriptor: Anthrax toxin receptor 1, MAGNESIUM ION, VP1, ...
Authors:Lou, Z.Y, Cao, L.
Deposit date:2018-08-01
Release date:2019-02-06
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Seneca Valley virus attachment and uncoating mediated by its receptor anthrax toxin receptor 1
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3FW5
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BU of 3fw5 by Molmil
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Ferric 4-methyl-catechol
Descriptor: 4-METHYLCATECHOL, CHLORIDE ION, FE (III) ION, ...
Authors:Clifton, M.C, Strong, R.K.
Deposit date:2009-01-16
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Iron traffics in circulation bound to a siderocalin (Ngal)-catechol complex.
Nat.Chem.Biol., 6, 2010
3FW4
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BU of 3fw4 by Molmil
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Ferric Catechol
Descriptor: CATECHOL, CHLORIDE ION, FE (III) ION, ...
Authors:Clifton, M.C, Strong, R.K.
Deposit date:2009-01-16
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Iron traffics in circulation bound to a siderocalin (Ngal)-catechol complex.
Nat.Chem.Biol., 6, 2010
6ADS
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BU of 6ads by Molmil
Structure of Seneca Valley Virus in acidic conditions
Descriptor: VP1, VP2, VP3, ...
Authors:Lou, Z.Y, Cao, L.
Deposit date:2018-08-02
Release date:2019-02-06
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Seneca Valley virus attachment and uncoating mediated by its receptor anthrax toxin receptor 1
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8XOH
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BU of 8xoh by Molmil
Cryo-EM structure of GPR30-Gq complex structure in the presence of E2
Descriptor: G-protein coupled estrogen receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Liu, H, Xu, P, Xu, H.E.
Deposit date:2024-01-01
Release date:2024-04-10
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural and functional evidence that GPR30 is not a direct estrogen receptor.
Cell Res., 34, 2024
6ADT
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BU of 6adt by Molmil
Structure of Seneca Valley Virus in neutral condition
Descriptor: VP1, VP2, VP3, ...
Authors:Lou, Z.Y, Cao, L.
Deposit date:2018-08-02
Release date:2019-02-06
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Seneca Valley virus attachment and uncoating mediated by its receptor anthrax toxin receptor 1
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8XOJ
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BU of 8xoj by Molmil
Cryo-EM structure of GPR30-Gq complex structure in the presence of G-1
Descriptor: G-protein coupled estrogen receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Liu, H, Xu, P, Xu, H.E.
Deposit date:2024-01-01
Release date:2024-04-10
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural and functional evidence that GPR30 is not a direct estrogen receptor.
Cell Res., 34, 2024
5CZ7
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BU of 5cz7 by Molmil
Yeast 20S proteasome beta5-T1A beta5-K81R double mutant in complex with Bortezomib, propeptide expressed in cis
Descriptor: CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2015-07-31
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016
5D0X
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BU of 5d0x by Molmil
Yeast 20S proteasome beta5-T1S mutant in complex with Bortezomib
Descriptor: CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2015-08-03
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016
3HW5
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BU of 3hw5 by Molmil
crystal structure of avian influenza virus PA_N in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, Polymerase acidic protein
Authors:Zhao, C, Lou, Z, Guo, Y, Ma, M, Chen, Y, Liang, S, Rao, Z.
Deposit date:2009-06-17
Release date:2009-10-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Nucleoside monophosphate complex structures of the endonuclease domain from the influenza virus polymerase PA subunit reveal the substrate binding site inside the catalytic center
J.Virol., 83, 2009
5DB2
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BU of 5db2 by Molmil
Menin in complex with MI-389
Descriptor: 2-{2-cyano-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indol-1-yl}aceta mide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J.
Deposit date:2015-08-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL).
J.Med.Chem., 59, 2016
5DEQ
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BU of 5deq by Molmil
Crystal structure of transcriptional factor AraR from Bacteroides thetaiotaomicron VPI in complex with L-arabinose
Descriptor: FORMIC ACID, SULFATE ION, TRANSCRIPTIONAL REGULATOR AraR, ...
Authors:Chang, C, Tesar, C, Rodionov, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-08-25
Release date:2015-10-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A novel transcriptional regulator of L-arabinose utilization in human gut bacteria.
Nucleic Acids Res., 43, 2015
5DB1
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BU of 5db1 by Molmil
Menin in complex with MI-336
Descriptor: 6-methoxy-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, Menin, ...
Authors:Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J.
Deposit date:2015-08-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL).
J.Med.Chem., 59, 2016
5CZ5
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BU of 5cz5 by Molmil
Yeast 20S proteasome beta1-T1A mutant in complex with Carfilzomib
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2015-07-31
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016
5D0W
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BU of 5d0w by Molmil
Yeast 20S proteasome beta5-T1S mutant
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2015-08-03
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016
3HW6
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BU of 3hw6 by Molmil
Crystal structure of avian influenza virus PA_N in complex with Mn
Descriptor: MANGANESE (II) ION, Polymerase acidic protein
Authors:Zhao, C, Lou, Z, Guo, Y, Ma, M, Chen, Y, Rao, Z.
Deposit date:2009-06-17
Release date:2009-10-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Nucleoside monophosphate complex structures of the endonuclease domain from the influenza virus polymerase PA subunit reveal the substrate binding site inside the catalytic center
J.Virol., 83, 2009
6LLZ
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BU of 6llz by Molmil
Crystal Structure of Fagopyrum esculentum M UGT708C1 complexed with UDP-glucose
Descriptor: UDP-glycosyltransferase 708C1, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Wang, X, Liu, M.
Deposit date:2019-12-24
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Crystal Structures of theC-Glycosyltransferase UGT708C1 from Buckwheat Provide Insights into the Mechanism ofC-Glycosylation.
Plant Cell, 32, 2020
7YC9
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BU of 7yc9 by Molmil
Co-crystal structure of BTK kinase domain with inhibitor
Descriptor: (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, Tyrosine-protein kinase BTK
Authors:Zhou, X.
Deposit date:2022-07-01
Release date:2023-05-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases.
J.Med.Chem., 66, 2023
3HW4
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BU of 3hw4 by Molmil
Crystal structure of avian influenza A virus in complex with TMP
Descriptor: MAGNESIUM ION, Polymerase acidic protein, THYMIDINE-5'-PHOSPHATE
Authors:Zhao, C, Lou, Z, Guo, Y, Ma, M, Chen, Y, Rao, Z.
Deposit date:2009-06-17
Release date:2009-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Nucleoside monophosphate complex structures of the endonuclease domain from the influenza virus polymerase PA subunit reveal the substrate binding site inside the catalytic center
J.Virol., 83, 2009
5EDX
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BU of 5edx by Molmil
Crystal structure of swine CD8aa homodimer
Descriptor: CD8 alpha antigen
Authors:Liu, Y.J, Qi, J.X, Zhang, N.Z, Xia, C.
Deposit date:2015-10-22
Release date:2016-09-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:The structural basis of chicken, swine and bovine CD8 alpha alpha dimers provides insight into the co-evolution with MHC I in endotherm species.
Sci Rep, 6, 2016
8II0
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BU of 8ii0 by Molmil
FACTOR INHIBITING HIF-1 ALPHA in complex with (5-(3-(3-chlorophenyl)isoxazol-5-yl)-3-hydroxypicolinoyl)glycine
Descriptor: 2-[[5-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
Authors:Nakashima, Y, Corner, T, Zhang, X, Schofield, C.J.
Deposit date:2023-02-24
Release date:2024-02-28
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:A Small-Molecule Inhibitor of Factor Inhibiting HIF Binding to a Tyrosine-flip Pocket for the Treatment of Obesity.
Angew.Chem.Int.Ed.Engl., 2024

223532

数据于2024-08-07公开中

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