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6WI7
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BU of 6wi7 by Molmil
RING1B-BMI1 fusion in closed conformation
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E3 ubiquitin-protein ligase RING2, Polycomb complex protein BMI-1 chimera, ...
Authors:Cho, H.J, Cierpicki, T.
Deposit date:2020-04-08
Release date:2021-04-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Small-molecule inhibitors targeting Polycomb repressive complex 1 RING domain.
Nat.Chem.Biol., 17, 2021
6WI8
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BU of 6wi8 by Molmil
Inhibitor compound-induced confrontational change in Ring1b-Bmi1 domain structure
Descriptor: E3 ubiquitin-protein ligase RING2,Polycomb complex protein BMI-1 chimera, ZINC ION
Authors:Cho, H.J, Cierpicki, T.
Deposit date:2020-04-09
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.092 Å)
Cite:Small-molecule inhibitors targeting Polycomb repressive complex 1 RING domain.
Nat.Chem.Biol., 17, 2021
6WZW
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BU of 6wzw by Molmil
Ash1L SET domain in complex with AS-85
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Histone-lysine N-methyltransferase ASH1L, N-{[3-(3-carbamothioylphenyl)-1-{1-[(trifluoromethyl)sulfonyl]piperidin-4-yl}-1H-indol-6-yl]methyl}azetidine-3-carboxamide, ...
Authors:Li, H, Deng, J, Cierpicki, T, Grembecka, J.
Deposit date:2020-05-14
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Discovery of first-in-class inhibitors of ASH1L histone methyltransferase with anti-leukemic activity.
Nat Commun, 12, 2021
6X0P
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BU of 6x0p by Molmil
Ash1L SET domain Q2265A mutant in complex with AS-5
Descriptor: 3-[6-(aminomethyl)-1-(2-hydroxyethyl)-1H-indol-3-yl]benzene-1-carbothioamide, Histone-lysine N-methyltransferase ASH1L, S-ADENOSYLMETHIONINE, ...
Authors:Rogawski, D.S, Li, H, Borkin, D, Cierpicki, T, Grembecka, J.
Deposit date:2020-05-17
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Discovery of first-in-class inhibitors of ASH1L histone methyltransferase with anti-leukemic activity.
Nat Commun, 12, 2021
4YZU
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BU of 4yzu by Molmil
Rapid development of two Factor IXa inhibitors from Hit to Lead
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Coagulation factor IX, ...
Authors:Hruza, A, Reichert, P.
Deposit date:2015-03-25
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Rapid development of two factor IXa inhibitors from hit to lead.
Bioorg.Med.Chem.Lett., 25, 2015
4Z0K
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BU of 4z0k by Molmil
Rapid development of two Factor IXa inhibitors from Hit to Lead
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Coagulation factor IX, ...
Authors:Hruza, A, Reichert, P.
Deposit date:2015-03-26
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Rapid development of two factor IXa inhibitors from hit to lead.
Bioorg.Med.Chem.Lett., 25, 2015
3ZXO
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BU of 3zxo by Molmil
CRYSTAL STRUCTURE OF THE MUTANT ATP-BINDING DOMAIN OF MYCOBACTERIUM TUBERCULOSIS DOSS
Descriptor: ACETATE ION, GLYCEROL, REDOX SENSOR HISTIDINE KINASE RESPONSE REGULATOR DEVS, ...
Authors:Cho, H.Y, Cho, H.J, Kang, B.S.
Deposit date:2011-08-13
Release date:2011-08-24
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Activation of ATP Binding for the Autophosphorylation of Doss, a Mycobacterium Tuberculosis Histidine Kinase Lacking an ATP-Lid Motif.
J.Biol.Chem., 288, 2013
2FPO
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BU of 2fpo by Molmil
Putative methyltransferase yhhF from Escherichia coli.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, methylase yhhF
Authors:Osipiuk, J, Kim, Y, Sanishvili, R, Skarina, T, Evdokimova, E, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2006-01-16
Release date:2006-02-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Methyltransferase that modifies guanine 966 of the 16 S rRNA: functional identification and tertiary structure.
J.Biol.Chem., 282, 2007
7WYI
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BU of 7wyi by Molmil
Native Photosystem I of Chlamydomonas reinhardtii
Descriptor: CHLOROPHYLL A, CHLOROPHYLL A ISOMER, CHLOROPHYLL B, ...
Authors:Kurisu, G, Gerle, C, Mitsuoka, K, Kawamoto, A, Tanaka, H.
Deposit date:2022-02-16
Release date:2023-02-22
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Three structures of PSI-LHCI from Chlamydomonas reinhardtii suggest a resting state re-activated by ferredoxin.
Biochim Biophys Acta Bioenerg, 1864, 2023
7WZN
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BU of 7wzn by Molmil
PSI-LHCI from Chlamydomonas reinhardtii with bound ferredoxin
Descriptor: CHLOROPHYLL A, CHLOROPHYLL A ISOMER, CHLOROPHYLL B, ...
Authors:Kurisu, G, Gerle, C, Mitsuoka, K, Kawamoto, A, Tanaka, H.
Deposit date:2022-02-18
Release date:2023-02-22
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Three structures of PSI-LHCI from Chlamydomonas reinhardtii suggest a resting state re-activated by ferredoxin.
Biochim Biophys Acta Bioenerg, 1864, 2023
5WY8
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BU of 5wy8 by Molmil
Crystal structure of PTP delta Ig1-Ig3 in complex with IL1RAPL1 Ig1-Ig3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-1 receptor accessory protein-like 1, ...
Authors:Kim, H.M, Won, S.Y, Kim, D.
Deposit date:2017-01-11
Release date:2017-11-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:LAR-RPTP Clustering Is Modulated by Competitive Binding between Synaptic Adhesion Partners and Heparan Sulfate
Front Mol Neurosci, 10, 2017
7YCA
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BU of 7yca by Molmil
Cryo-EM structure of the PSI-LHCI-Lhcp supercomplex from Ostreococcus tauri
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (1~{S})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaenyl]cyclohex-3-en-1-ol, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Shan, J, Sheng, X, Ishii, A, Watanabe, A, Song, C, Murata, K, Minagawa, J, Liu, Z.
Deposit date:2022-07-01
Release date:2023-04-26
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:The photosystem I supercomplex from a primordial green alga Ostreococcus tauri harbors three light-harvesting complex trimers.
Elife, 12, 2023
7MBZ
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BU of 7mbz by Molmil
Outward facing conformation of the MetNI methionine ABC transporter in complex with lipo-MetQ
Descriptor: ABC transporter, ATP-binding protein, permease protein, ...
Authors:Sharaf, N.G, Rees, D.C.
Deposit date:2021-04-01
Release date:2021-09-01
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:Characterization of the ABC methionine transporter from Neisseria meningitidis reveals that lipidated MetQ is required for interaction.
Elife, 10, 2021
7MC0
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BU of 7mc0 by Molmil
Inward facing conformation of the MetNI methionine ABC transporter
Descriptor: ABC transporter, ATP-binding protein, permease protein
Authors:Sharaf, N.G, Rees, D.C.
Deposit date:2021-04-01
Release date:2021-09-01
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Characterization of the ABC methionine transporter from Neisseria meningitidis reveals that lipidated MetQ is required for interaction.
Elife, 10, 2021
3K87
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BU of 3k87 by Molmil
Crystal structure of NADH:FAD oxidoreductase (TftC) - FAD complex
Descriptor: Chlorophenol-4-monooxygenase component 1, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Kang, C.H, Webb, B.N.
Deposit date:2009-10-13
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterization of chlorophenol 4-monooxygenase (TftD) and NADH:FAD oxidoreductase (TftC) of Burkholderia cepacia AC1100.
J.Biol.Chem., 285, 2010
3K86
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BU of 3k86 by Molmil
Crystal structure of NADH:FAD oxidoreductase (TftC) - apo form
Descriptor: Chlorophenol-4-monooxygenase component 1
Authors:Kang, C.H, Webb, B.N.
Deposit date:2009-10-13
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterization of chlorophenol 4-monooxygenase (TftD) and NADH:FAD oxidoreductase (TftC) of Burkholderia cepacia AC1100.
J.Biol.Chem., 285, 2010
3HWC
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BU of 3hwc by Molmil
Crystal Structure of Chlorophenol 4-Monooxygenase (TftD) of Burkholderia cepacia AC1100
Descriptor: Chlorophenol-4-monooxygenase component 2
Authors:Ballinger, J.W, Kang, C.H.
Deposit date:2009-06-17
Release date:2009-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Characterization of chlorophenol 4-monooxygenase (TftD) and NADH:FAD oxidoreductase (TftC) of Burkholderia cepacia AC1100.
J.Biol.Chem., 285, 2010
3K88
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BU of 3k88 by Molmil
Crystal structure of NADH:FAD oxidoreductase (TftC) - FAD, NADH complex
Descriptor: Chlorophenol-4-monooxygenase component 1, FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Kang, C, Webb, B.N.
Deposit date:2009-10-13
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterization of chlorophenol 4-monooxygenase (TftD) and NADH:FAD oxidoreductase (TftC) of Burkholderia cepacia AC1100.
J.Biol.Chem., 285, 2010
1G9O
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BU of 1g9o by Molmil
FIRST PDZ DOMAIN OF THE HUMAN NA+/H+ EXCHANGER REGULATORY FACTOR
Descriptor: NHE-RF
Authors:Karthikeyan, S, Leung, T, Birrane, G, Webster, G, Ladias, J.A.A.
Deposit date:2000-11-26
Release date:2001-05-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the PDZ1 domain of human Na(+)/H(+) exchanger regulatory factor provides insights into the mechanism of carboxyl-terminal leucine recognition by class I PDZ domains.
J.Mol.Biol., 308, 2001
6KAC
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BU of 6kac by Molmil
Cryo-EM structure of the C2S2-type PSII-LHCII supercomplex from Chlamydomonas reihardtii
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Sheng, X, Li, A.J, Song, D.F, Liu, Z.F.
Deposit date:2019-06-21
Release date:2019-10-23
Last modified:2019-12-25
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural insight into light harvesting for photosystem II in green algae.
Nat.Plants, 5, 2019
1H8C
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BU of 1h8c by Molmil
UBX domain from human faf1
Descriptor: FAS-ASSOCIATED FACTOR 1
Authors:Bycroft, M.M.
Deposit date:2001-02-01
Release date:2001-02-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The Ubx Domain: A Widespread Ubiquitin-Like Module
J.Mol.Biol., 307, 2001
1PDR
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BU of 1pdr by Molmil
CRYSTAL STRUCTURE OF THE THIRD PDZ DOMAIN FROM THE HUMAN HOMOLOG OF DISCS LARGE PROTEIN
Descriptor: HUMAN DISCS LARGE PROTEIN
Authors:Cabral, J.M, Liddington, R.
Deposit date:1996-07-26
Release date:1997-07-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of a PDZ domain.
Nature, 382, 1996
1KWA
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BU of 1kwa by Molmil
HUMAN CASK/LIN-2 PDZ DOMAIN
Descriptor: HCASK/LIN-2 PROTEIN, SULFATE ION
Authors:Daniels, D.L, Cohen, A.R, Anderson, J.M, Brunger, A.T.
Deposit date:1998-01-16
Release date:1998-05-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structure of the hCASK PDZ domain reveals the structural basis of class II PDZ domain target recognition
Nat.Struct.Biol., 5, 1998
6E8M
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BU of 6e8m by Molmil
Legionella Longbeachae LeSH (Llo2327) bound to the human DnaJ-A1 pTyr381 peptide
Descriptor: DnaJ-A1 pTyr381 peptide, LeSH (Llo2327)
Authors:Kaneko, T, Li, S.S.C.
Deposit date:2018-07-30
Release date:2018-11-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Identification and characterization of a large family of superbinding bacterial SH2 domains.
Nat Commun, 9, 2018
8V4U
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BU of 8v4u by Molmil
Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor
Descriptor: 3C-like proteinase nsp5, N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide
Authors:Greasley, S.E, Ferre, R.A, Liu, W.
Deposit date:2023-11-29
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.819 Å)
Cite:A Second-Generation Oral SARS-CoV-2 Main Protease Inhibitor Clinical Candidate for the Treatment of COVID-19.
J.Med.Chem., 2024

222624

數據於2024-07-17公開中

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