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4HXL
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BU of 4hxl by Molmil
Brd4 Bromodomain 1 complex with 3-CYCLOHEXYL-N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}PROPANAMIDE inhibitor
Descriptor: 3-cyclohexyl-N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}propanamide, Bromodomain-containing protein 4
Authors:Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C.
Deposit date:2012-11-12
Release date:2013-04-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
2ZBD
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BU of 2zbd by Molmil
Crystal Structure of the SR Calcium Pump with Bound Aluminium Fluoride, ADP and Calcium
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ...
Authors:Toyoshima, C, Nomura, H, Tsuda, T, Ogawa, H, Norimatsu, Y.
Deposit date:2007-10-20
Release date:2007-11-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Lumenal gating mechanism revealed in calcium pump crystal structures with phosphate analogues
Nature, 432, 2004
7VPP
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BU of 7vpp by Molmil
Structures of a deltacoronavirus spike protein bound to porcine and human receptors indicate the risk of virus adaptation to humans
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ji, W, Xu, Y, Zhang, S.
Deposit date:2021-10-17
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structures of a deltacoronavirus spike protein bound to porcine and human receptors.
Nat Commun, 13, 2022
7VPQ
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BU of 7vpq by Molmil
Structures of a deltacoronavirus spike protein bound to porcine and human receptors indicate the risk of virus adaptation to humans
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ji, W, Xu, Y, Zhang, S.
Deposit date:2021-10-17
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of a deltacoronavirus spike protein bound to porcine and human receptors.
Nat Commun, 13, 2022
6KJU
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BU of 6kju by Molmil
Huge conformation shift of Vibrio cholerae VqmA dimer in the absence of target DNA provides insight into DNA-binding mechanisms of LuxR-type receptors
Descriptor: 3,5-dimethylpyrazin-2-ol, Helix-turn-helix transcriptional regulator
Authors:Wu, H, Li, M.J, Guo, H.J, Zhou, H, Wang, W.W, Xu, Q, Xu, C.Y, Yu, F, He, J.H.
Deposit date:2019-07-23
Release date:2019-11-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Large conformation shifts of Vibrio cholerae VqmA dimer in the absence of target DNA provide insight into DNA-binding mechanisms of LuxR-type receptors.
Biochem.Biophys.Res.Commun., 520, 2019
4J35
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BU of 4j35 by Molmil
Molecular Engineering of Organophosphate Hydrolysis Activity from a Weak Promiscuous Lactonase Template
Descriptor: COBALT (II) ION, Phosphotriesterase, putative
Authors:Sterner, R, Raushel, F, Meier, M, Rajendran, C, Malisi, C, Fox, N, Schlee, S, Barondeau, D, Cker, B.H.
Deposit date:2013-02-05
Release date:2013-07-24
Last modified:2013-09-04
Method:X-RAY DIFFRACTION (1.783 Å)
Cite:Molecular engineering of organophosphate hydrolysis activity from a weak promiscuous lactonase template.
J.Am.Chem.Soc., 135, 2013
8X2U
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BU of 8x2u by Molmil
Radial spoke head-neck dimer
Descriptor: DPY30 domain containing 2, DnaJ homolog subfamily B member 13, Nucleoside diphosphate kinase homolog 5, ...
Authors:Meng, X, Cong, Y.
Deposit date:2023-11-10
Release date:2024-02-07
Method:ELECTRON MICROSCOPY (3.57 Å)
Cite:Multi-scale structures of the mammalian radial spoke and divergence of axonemal complexes in ependymal cilia.
Nat Commun, 15, 2024
8WZB
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BU of 8wzb by Molmil
RS head-neck monomer
Descriptor: DPY30 domain containing 2, DnaJ homolog subfamily B member 13, Nucleoside diphosphate kinase homolog 5, ...
Authors:Meng, X, Cong, Y.
Deposit date:2023-11-01
Release date:2024-02-07
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Multi-scale structures of the mammalian radial spoke and divergence of axonemal complexes in ependymal cilia.
Nat Commun, 15, 2024
4J2M
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BU of 4j2m by Molmil
Molecular Engineering of Organophosphate Hydrolysis Activity from a Weak Promiscuous Lactonase Template
Descriptor: COBALT (II) ION, Phosphotriesterase, putative
Authors:Rajendran, C, Meier, M, Reinhard, S.
Deposit date:2013-02-04
Release date:2013-07-24
Last modified:2013-09-04
Method:X-RAY DIFFRACTION (1.786 Å)
Cite:Molecular engineering of organophosphate hydrolysis activity from a weak promiscuous lactonase template.
J.Am.Chem.Soc., 135, 2013
2YB4
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BU of 2yb4 by Molmil
Structure of an amidohydrolase from Chromobacterium violaceum (EFI target EFI-500202) with bound SO4, no metal
Descriptor: AMIDOHYDROLASE, SULFATE ION
Authors:Vetting, M.W, Hillerich, B, Foti, R, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Raushel, F.M, Gerlt, J.A, Almo, S.C.
Deposit date:2011-03-01
Release date:2011-03-16
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Prospecting for Unannotated Enzymes: Discovery of a 3',5'-Nucleotide Bisphosphate Phosphatase within the Amidohydrolase Superfamily.
Biochemistry, 53, 2014
2YB1
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BU of 2yb1 by Molmil
Structure of an amidohydrolase from Chromobacterium violaceum (EFI target EFI-500202) with bound Mn, AMP and phosphate.
Descriptor: ADENOSINE MONOPHOSPHATE, AMIDOHYDROLASE, MANGANESE (II) ION, ...
Authors:Vetting, M.W, Hillerich, B, Foti, R, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Raushel, F.M, Gerlt, J.A, Almo, S.C.
Deposit date:2011-02-25
Release date:2011-03-16
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Prospecting for Unannotated Enzymes: Discovery of a 3',5'-Nucleotide Bisphosphate Phosphatase within the Amidohydrolase Superfamily.
Biochemistry, 53, 2014
5WP3
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BU of 5wp3 by Molmil
Crystal Structure of EED in complex with EB22
Descriptor: EB22, Polycomb protein EED, UNKNOWN ATOM OR ION
Authors:Dong, C, Tempel, W, Zhu, L, Moody, J.D, Baker, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2017-08-03
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:First critical repressive H3K27me3 marks in embryonic stem cells identified using designed protein inhibitor.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2REU
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BU of 2reu by Molmil
Crystal Structure of the C-terminal of Sau3AI fragment
Descriptor: MAGNESIUM ION, Type II restriction enzyme Sau3AI
Authors:Hu, X, Yu, F, Xu, C, He, J.
Deposit date:2007-09-27
Release date:2008-09-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure and function of C-terminal Sau3AI domain
Biochim.Biophys.Acta, 1794, 2009
6MUO
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BU of 6muo by Molmil
CENP-A nucleosome bound by two copies of CENP-C(CD) and one copy CENP-N(NT)
Descriptor: Centromere protein C, Centromere protein N, DNA/RNA (147-MER), ...
Authors:Allu, P.K, Black, B.E.
Deposit date:2018-10-23
Release date:2019-07-24
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure of the Human Core Centromeric Nucleosome Complex.
Curr.Biol., 29, 2019
7SUK
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BU of 7suk by Molmil
Structure of Bfr2-Lcp5 Complex Observed in the Small Subunit Processome Isolated from R2TP-depleted Yeast Cells
Descriptor: 18S pre-rRNA, 40S ribosomal protein S11-A, 40S ribosomal protein S13, ...
Authors:Rai, J, Zhao, Y, Li, H.
Deposit date:2021-11-17
Release date:2022-07-06
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.99 Å)
Cite:Artificial intelligence-assisted cryoEM structure of Bfr2-Lcp5 complex observed in the yeast small subunit processome.
Commun Biol, 5, 2022
3KDU
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BU of 3kdu by Molmil
Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-((4-methylphenoxy)carbonyl)glycine
Descriptor: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-[(4-methylphenoxy)carbonyl]glycine, Peroxisome proliferator-activated receptor alpha
Authors:Muckelbauer, J.K.
Deposit date:2009-10-23
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010
3KDT
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BU of 3kdt by Molmil
Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-(methoxycarbonyl)glycine
Descriptor: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-(methoxycarbonyl)glycine, Peroxisome proliferator-activated receptor alpha
Authors:Muckelbauer, J.K.
Deposit date:2009-10-23
Release date:2010-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010
7T3B
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BU of 7t3b by Molmil
GATOR1-RAG-RAGULATOR - GAP Complex
Descriptor: ALUMINUM FLUORIDE, GATOR complex protein DEPDC5, GATOR complex protein NPRL2, ...
Authors:Egri, S.B, Shen, K.
Deposit date:2021-12-07
Release date:2022-04-06
Last modified:2022-06-01
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM structures of the human GATOR1-Rag-Ragulator complex reveal a spatial-constraint regulated GAP mechanism.
Mol.Cell, 82, 2022
7T3A
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BU of 7t3a by Molmil
GATOR1-RAG-RAGULATOR - Inhibitory Complex
Descriptor: GATOR complex protein DEPDC5, GATOR complex protein NPRL2, GATOR complex protein NPRL3, ...
Authors:Egri, S.B, Shen, K.
Deposit date:2021-12-07
Release date:2022-04-06
Last modified:2022-06-01
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM structures of the human GATOR1-Rag-Ragulator complex reveal a spatial-constraint regulated GAP mechanism.
Mol.Cell, 82, 2022
7T3C
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BU of 7t3c by Molmil
GATOR1-RAG-RAGULATOR - Dual Complex
Descriptor: ALUMINUM FLUORIDE, GATOR complex protein DEPDC5, GATOR complex protein NPRL2, ...
Authors:Egri, S.B, Shen, K.
Deposit date:2021-12-07
Release date:2022-04-06
Last modified:2022-06-01
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM structures of the human GATOR1-Rag-Ragulator complex reveal a spatial-constraint regulated GAP mechanism.
Mol.Cell, 82, 2022
8BQU
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BU of 8bqu by Molmil
Molecular basis of ZP3/ZP1 heteropolymerization: crystal structure of a native vertebrate egg coat filament
Descriptor: Choriogenin H, Zona pellucida sperm-binding protein 3, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Bokhove, M, de Sanctis, D, Yasumasu, S, Jovine, L.
Deposit date:2022-11-21
Release date:2024-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
3O8V
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BU of 3o8v by Molmil
Crystal Structure of the Tudor Domains from FXR1
Descriptor: Fragile X mental retardation syndrome-related protein 1
Authors:Lam, R, Guo, Y.H, Adams-Cioaba, M, Bian, C.B, Mackenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2010-08-03
Release date:2010-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Studies of the Tandem Tudor Domains of Fragile X Mental Retardation Related Proteins FXR1 and FXR2.
Plos One, 5, 2010
8DS8
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BU of 8ds8 by Molmil
Crystal structure of human TNRC18 BAH domain in complex with H3K9me3 peptide
Descriptor: Histone H3.1, Trinucleotide repeat-containing gene 18 protein
Authors:Song, J.K, Lu, J.W.
Deposit date:2022-07-21
Release date:2023-08-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:TNRC18 engages H3K9me3 to mediate silencing of endogenous retrotransposons.
Nature, 623, 2023
3FDR
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BU of 3fdr by Molmil
Crystal structure of TDRD2
Descriptor: Tudor and KH domain-containing protein
Authors:Amaya, M.F, Adams, M.A, Guo, Y, Li, Y, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2008-11-26
Release date:2009-01-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Mouse Piwi interactome identifies binding mechanism of Tdrkh Tudor domain to arginine methylated Miwi
Proc.Natl.Acad.Sci.USA, 106, 2009
7WVP
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BU of 7wvp by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron Spike protein with human ACE2 receptor, C2 state
Descriptor: Angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Han, W.Y, Wang, Y.F.
Deposit date:2022-02-10
Release date:2022-04-06
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Molecular basis of receptor binding and antibody neutralization of Omicron.
Nature, 604, 2022

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