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8Y39
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BU of 8y39 by Molmil
cryo-EM structure of Staphylococcus aureus(ATCC 29213) 70S ribosome in complex with MCX-190.
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Li, Y, Lu, G, Li, J, Pei, X, Lin, J.
Deposit date:2024-01-28
Release date:2024-07-24
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Synthetic macrolides overcoming MLS B K-resistant pathogens.
Cell Discov, 10, 2024
8Y37
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BU of 8y37 by Molmil
Cryo-EM structure of Staphylococcus aureus (15B196) 50S ribosome in complex with MCX-190.
Descriptor: 23S ribosomal RNA, 5S ribosomal RNA, 7-[4-[3-[[(1~{S},2~{R},5~{R},6~{S},7~{S},8~{R},9~{R},11~{R},13~{R},14~{R})-8-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-tris(oxidanylidene)-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-6-yl]oxycarbonylamino]propoxy]but-1-ynyl]-1-methyl-4-oxidanylidene-quinoline-3-carboxylic acid, ...
Authors:Li, Y, Lu, G, Li, J, Pei, X, Lin, J.
Deposit date:2024-01-28
Release date:2024-07-24
Method:ELECTRON MICROSCOPY (2.53 Å)
Cite:Synthetic macrolides overcoming MLS B K-resistant pathogens.
Cell Discov, 10, 2024
8Y38
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BU of 8y38 by Molmil
Cryo-EM structure of Staphylococcus aureus 70S ribosome (strain 15B196) in complex with MCX-190.
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Li, Y, Lu, G, Li, J, Pei, X, Lin, J.
Deposit date:2024-01-28
Release date:2024-07-24
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Synthetic macrolides overcoming MLS B K-resistant pathogens.
Cell Discov, 10, 2024
8Y36
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BU of 8y36 by Molmil
cryo-EM structure of Staphylococcus aureus(ATCC 29213) 50S ribosome in complex with MCX-190.
Descriptor: 23S ribosomal RNA, 5S ribosomal RNA, 7-[4-[3-[[(1~{S},2~{R},5~{R},6~{S},7~{S},8~{R},9~{R},11~{R},13~{R},14~{R})-8-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-tris(oxidanylidene)-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-6-yl]oxycarbonylamino]propoxy]but-1-ynyl]-1-methyl-4-oxidanylidene-quinoline-3-carboxylic acid, ...
Authors:Li, Y, Lu, G, Li, J, Pei, X, Lin, J.
Deposit date:2024-01-28
Release date:2024-07-24
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Synthetic macrolides overcoming MLS B K-resistant pathogens.
Cell Discov, 10, 2024
8ZU2
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BU of 8zu2 by Molmil
Crystal Structure of Human Myt1 Kinase domain Bounded with compound 8g
Descriptor: 2-azanyl-5-[2-(1,4-diazepan-1-yl)pyridin-4-yl]-3-(2,6-dimethyl-3-oxidanyl-phenyl)benzamide, GLYCINE, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
Authors:Zhang, Z.M, Zhou, Z.Q.
Deposit date:2024-06-07
Release date:2024-09-11
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (1.79888582 Å)
Cite:Structure-Based Drug Design of 2-Amino-[1,1'-biphenyl]-3-carboxamide Derivatives as Selective PKMYT1 Inhibitors for the Treatment of CCNE1 -Amplified Breast Cancer.
J.Med.Chem., 67, 2024
8ZTX
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BU of 8ztx by Molmil
Crystal Structure of Human Myt1 Kinase domain Bounded with compound 6b
Descriptor: 2-azanyl-3-(2,6-dimethyl-3-oxidanyl-phenyl)-5-pyridin-4-yl-benzamide, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
Authors:Zhang, Z.M, Zhou, Z.Q.
Deposit date:2024-06-07
Release date:2024-09-11
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (1.70033228 Å)
Cite:Structure-Based Drug Design of 2-Amino-[1,1'-biphenyl]-3-carboxamide Derivatives as Selective PKMYT1 Inhibitors for the Treatment of CCNE1 -Amplified Breast Cancer.
J.Med.Chem., 67, 2024
8ZUD
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BU of 8zud by Molmil
Crystal Structure of Human Myt1 Kinase domain Bounded with compound 8f
Descriptor: 2-azanyl-3-(2,6-dimethyl-3-oxidanyl-phenyl)-5-(2-morpholin-4-ylpyridin-4-yl)benzamide, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
Authors:Zhang, Z.M, Zhou, Z.Q.
Deposit date:2024-06-08
Release date:2024-09-11
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (1.50510085 Å)
Cite:Structure-Based Drug Design of 2-Amino-[1,1'-biphenyl]-3-carboxamide Derivatives as Selective PKMYT1 Inhibitors for the Treatment of CCNE1 -Amplified Breast Cancer.
J.Med.Chem., 67, 2024
8ZUL
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BU of 8zul by Molmil
Crystal Structure of Human Myt1 Kinase domain Bounded with compound 8m
Descriptor: 2-azanyl-5-[2-[(3~{R})-3-azanylpyrrolidin-1-yl]pyridin-4-yl]-3-(2,6-dimethyl-3-oxidanyl-phenyl)benzamide, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
Authors:Zhang, Z.M, Zhou, Z.Q.
Deposit date:2024-06-09
Release date:2024-09-11
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (1.80026162 Å)
Cite:Structure-Based Drug Design of 2-Amino-[1,1'-biphenyl]-3-carboxamide Derivatives as Selective PKMYT1 Inhibitors for the Treatment of CCNE1 -Amplified Breast Cancer.
J.Med.Chem., 67, 2024
6YF1
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BU of 6yf1 by Molmil
FKBP12 in complex with the BMP potentiator compound 8 at 1.12A resolution
Descriptor: (1aR,3R,5S,6R,7S,9R,10R,17aS,20S,21R,22S,25R,25aR)-25-Ethyl-10,22-dihydroxy-20-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-5,7-dimethoxy-1a,3,9,21-tetramethyloctadecahydro-2H-6,10-epoxyoxireno[p]pyrido[2,1-c][1,4]oxazacyclotricosine-11,12,18,24(1aH,14H)-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP1A
Authors:Kallen, J.
Deposit date:2020-03-25
Release date:2021-03-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury.
Cell Chem Biol, 28, 2021
6YF2
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BU of 6yf2 by Molmil
FKBP12 in complex with the BMP potentiator compound 6 at 1.03A resolution
Descriptor: (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-23,25-dimethoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone, CADMIUM ION, CHLORIDE ION, ...
Authors:Kallen, J.
Deposit date:2020-03-25
Release date:2021-03-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury.
Cell Chem Biol, 28, 2021
6YF0
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BU of 6yf0 by Molmil
FKBP12 in complex with the BMP potentiator compound 9 at 1.55 A resolution
Descriptor: 18-HYDROXYASCOMYCIN, Peptidyl-prolyl cis-trans isomerase FKBP1A, SULFATE ION
Authors:Kallen, J.
Deposit date:2020-03-25
Release date:2021-03-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury.
Cell Chem Biol, 28, 2021
6YF3
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BU of 6yf3 by Molmil
FKBP12 in complex with the BMP potentiator compound 10 at 1.00A resolution
Descriptor: (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-17-ethyl-25-methoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone, CADMIUM ION, CHLORIDE ION, ...
Authors:Kallen, J.
Deposit date:2020-03-25
Release date:2021-03-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1 Å)
Cite:Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury.
Cell Chem Biol, 28, 2021
6V97
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BU of 6v97 by Molmil
Kindlin-3 double deletion mutant short form
Descriptor: Fermitin family homolog 3
Authors:Xu, Z, Zhang, T.L, Xu, Z, Sun, J.J, Ding, J.P, Ma, Y.Q.
Deposit date:2019-12-13
Release date:2020-07-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.381 Å)
Cite:Structure basis of the FERM domain of kindlin-3 in supporting integrin alpha IIb beta 3 activation in platelets.
Blood Adv, 4, 2020
6V9G
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BU of 6v9g by Molmil
Kindlin-3 double deletion mutant long form
Descriptor: Fermitin family homolog 3
Authors:Xu, Z, Zhang, T.L, Xu, Z, Sun, J.J, Ding, J.P, Ma, Y.Q.
Deposit date:2019-12-13
Release date:2020-07-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure basis of the FERM domain of kindlin-3 in supporting integrin alpha IIb beta 3 activation in platelets.
Blood Adv, 4, 2020
5JDK
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BU of 5jdk by Molmil
Crystal structure of the DNA binding domain of Sap1 in fission yeast S.pombe
Descriptor: GLYCEROL, Switch-activating protein 1
Authors:He, P, Wang, T.
Deposit date:2016-04-17
Release date:2017-02-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (0.998 Å)
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
7LUB
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BU of 7lub by Molmil
Crystal structure of recombinant human fumarase in complex with D-2-amino-3-phosphono-propionic acid
Descriptor: D-2-AMINO-3-PHOSPHONO-PROPIONIC ACID, Fumarate hydratase, mitochondrial, ...
Authors:Cardoso, I.A, Nonato, M.C.
Deposit date:2021-02-21
Release date:2022-02-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Protein-metabolite interactomics of carbohydrate metabolism reveal regulation of lactate dehydrogenase.
Science, 379, 2023
8GSZ
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BU of 8gsz by Molmil
Structure of STING SAVI-related mutant V147L
Descriptor: Stimulator of interferon genes protein
Authors:Wang, Z, Yu, X.
Deposit date:2022-09-07
Release date:2022-12-28
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Structural insights into a shared mechanism of human STING activation by a potent agonist and an autoimmune disease-associated mutation.
Cell Discov, 8, 2022
8GT6
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BU of 8gt6 by Molmil
human STING With agonist HB3089
Descriptor: 1-[(2E)-4-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-[3-(morpholin-4-yl)propoxy]-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methyl-1H-furo[3,2-e]benzimidazole-5-carboxamide, Stimulator of interferon genes protein
Authors:Wang, Z, Yu, X.
Deposit date:2022-09-07
Release date:2022-12-28
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Structural insights into a shared mechanism of human STING activation by a potent agonist and an autoimmune disease-associated mutation.
Cell Discov, 8, 2022
7MBH
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BU of 7mbh by Molmil
Structure of Human Enolase 2 in complex with phosphoserine
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Gamma-enolase, ...
Authors:Leonard, P.G, Hicks, K.G, Rutter, J.
Deposit date:2021-03-31
Release date:2022-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Protein-metabolite interactomics of carbohydrate metabolism reveal regulation of lactate dehydrogenase.
Science, 379, 2023
5JBQ
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BU of 5jbq by Molmil
EF-TU (ESCHERICHIA COLI) IN COMPLEX WITH THIOMURACIN ANALOG
Descriptor: Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Palestrant, D, Stams, T.
Deposit date:2016-04-13
Release date:2016-07-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Antibacterial and Solubility Optimization of Thiomuracin A.
J.Med.Chem., 59, 2016
6VWV
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BU of 6vwv by Molmil
Transitional unit cell 2 of adenine riboswitch aptamer crystal phase transition upon ligand binding
Descriptor: ADENINE, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Stagno, J.R, Wang, Y.-X.
Deposit date:2020-02-20
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Synchronous RNA conformational changes trigger ordered phase transitions in crystals.
Nat Commun, 12, 2021
6VWT
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BU of 6vwt by Molmil
Transitional unit cell 1 of adenine riboswitch aptamer crystal phase transition upon ligand binding
Descriptor: ADENINE, MAGNESIUM ION, adenine riboswitch aptamer variant
Authors:Stagno, J.R, Wang, Y.-X.
Deposit date:2020-02-20
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Synchronous RNA conformational changes trigger ordered phase transitions in crystals.
Nat Commun, 12, 2021
6KMS
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BU of 6kms by Molmil
Crystal structure of human N6amt1-Trm112 in complex with SAM (space group I422)
Descriptor: Methyltransferase N6AMT1, Multifunctional methyltransferase subunit TRM112-like protein, S-ADENOSYLMETHIONINE
Authors:Li, W.J, Shi, Y, Zhang, T.L, Ye, J, Ding, J.P.
Deposit date:2019-08-01
Release date:2019-09-18
Last modified:2019-11-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural insight into human N6amt1-Trm112 complex functioning as a protein methyltransferase.
Cell Discov, 5, 2019
6KMR
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BU of 6kmr by Molmil
Crystal structure of human N6amt1-Trm112 in complex with SAM (space group P6122)
Descriptor: 1,2-ETHANEDIOL, Methyltransferase N6AMT1, Multifunctional methyltransferase subunit TRM112-like protein, ...
Authors:Li, W.J, Shi, Y, Zhang, T.L, Ye, J, Ding, J.P.
Deposit date:2019-08-01
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insight into human N6amt1-Trm112 complex functioning as a protein methyltransferase.
Cell Discov, 5, 2019
4XHR
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BU of 4xhr by Molmil
Structure of a phospholipid trafficking complex, native
Descriptor: Mitochondrial distribution and morphology protein 35, Protein UPS1, mitochondrial
Authors:Yu, F, He, F, Wang, C, Zhang, P.
Deposit date:2015-01-06
Release date:2015-07-01
Last modified:2015-08-05
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural basis of intramitochondrial phosphatidic acid transport mediated by Ups1-Mdm35 complex
Embo Rep., 16, 2015

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数据于2024-10-16公开中

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