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4U6A
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BU of 4u6a by Molmil
X-ray crystal structure of human TNKS in complex with a small molecule inhibitor
Descriptor: 1,2-ETHANEDIOL, 3-(4-{[4-(dimethylamino)piperidin-1-yl]methyl}phenyl)-5-methylisoquinolin-1(2H)-one, GLYCEROL, ...
Authors:Oliver, A.W.
Deposit date:2014-07-28
Release date:2015-07-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Design and discovery of 3-aryl-5-substituted-isoquinolin-1- ones as potent and selective tankyrase inhibitors
To be published
3ZPV
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BU of 3zpv by Molmil
Crystal structure of Drosophila Pygo PHD finger in complex with Legless HD1 domain
Descriptor: PROTEIN BCL9 HOMOLOG, PROTEIN PYGOPUS, ZINC ION
Authors:Miller, T.C.R, Mieszczanek, J, Sanchez-Barrena, M.J, Rutherford, T.J, Fiedler, M, Bienz, M.
Deposit date:2013-03-02
Release date:2013-10-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Evolutionary Adaptation of the Fly Pygo Phd Finger Towards Recognizing Histone H3 Tail Methylated at Arginine 2
Structure, 21, 2013
6WC5
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BU of 6wc5 by Molmil
Crystal Structure of a Ternary MEF2B/NKX2-5/myocardin enhancer DNA Complex
Descriptor: Homeobox protein Nkx-2.5, Myocardin enhancer DNA, Myocyte-specific enhancer factor 2B
Authors:Chen, L, Lei, X.
Deposit date:2020-03-29
Release date:2020-07-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structures of Ternary Complexes of MEF2 and NKX2-5 Bound to DNA Reveal a Disease Related Protein-Protein Interaction Interface.
J.Mol.Biol., 432, 2020
6WKS
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BU of 6wks by Molmil
Structure of SARS-CoV-2 nsp16/nsp10 in complex with RNA cap analogue (m7GpppA) and S-adenosylmethionine
Descriptor: 1,2-ETHANEDIOL, 2'-O-methyltransferase, ADENOSINE, ...
Authors:Gupta, Y.K, Viswanathan, T, Arya, S, Qi, S, Misra, A, Chan, S.-H.
Deposit date:2020-04-16
Release date:2020-05-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of RNA cap modification by SARS-CoV-2.
Nat Commun, 11, 2020
4UUH
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BU of 4uuh by Molmil
X-ray crystal structure of human TNKS in complex with a small molecule inhibitor
Descriptor: 1,2-ETHANEDIOL, 5-methyl-3-[4-(piperazin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one, GLYCEROL, ...
Authors:Oliver, A.W, Rajasekaran, M.B, Pearl, L.H.
Deposit date:2014-07-28
Release date:2015-07-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Design and Discovery of 3-Aryl-5-Substituted-Isoquinolin-1- Ones as Potent and Selective Tankyrase Inhibitors
Medchemcommm, 6, 2015
1XZ4
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BU of 1xz4 by Molmil
Intersubunit Interactions Associated with Tyr42alpha Stabilize the Quaternary-T Tetramer but are not Major Quaternary Constraints in Deoxyhemoglobin: alphaY42A deoxyhemoglobin no-salt
Descriptor: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kavanaugh, J.S, Rogers, P.H, Arnone, A, Hui, H.L, Wierzba, A, DeYoung, A, Kwiatkowski, L.D, Noble, R.W, Juszczak, L.J, Peterson, E.S, Friedman, J.M.
Deposit date:2004-11-11
Release date:2004-11-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Intersubunit interactions associated with tyr42alpha stabilize the quaternary-T tetramer but are not major quaternary constraints in deoxyhemoglobin
Biochemistry, 44, 2005
5OW4
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BU of 5ow4 by Molmil
Crystal structure of a protease-resistant fragment of the Trypanosoma cruzi gamete fusion protein HAP2 ectodomain
Descriptor: Uncharacterized protein
Authors:Fedry, J, Rey, F.A, Krey, T.
Deposit date:2017-08-30
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Evolutionary diversification of the HAP2 membrane insertion motifs to drive gamete fusion across eukaryotes.
PLoS Biol., 16, 2018
6U6Y
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BU of 6u6y by Molmil
Human SAMHD1 bound to ribo(CGCCU)-oligonucleotide
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, RNA CGCCU, ...
Authors:Taylor, A.B, Bhattacharya, A, Wang, Z, Ivanov, D.N.
Deposit date:2019-08-30
Release date:2020-09-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Nucleic acid binding by SAMHD1 contributes to the antiretroviral activity and is enhanced by the GpsN modification.
Nat Commun, 12, 2021
6UQT
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BU of 6uqt by Molmil
Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors
Descriptor: 2-hydroxyethyl hydrogen (3-methoxyphenyl)boronate, Beta-lactamase, CHLORIDE ION
Authors:Scapin, G.
Deposit date:2019-10-21
Release date:2019-10-30
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6UQU
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BU of 6uqu by Molmil
Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors
Descriptor: Beta-lactamase, CHLORIDE ION, PHENYL BORONIC ACID
Authors:Scapin, G.
Deposit date:2019-10-21
Release date:2019-10-30
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.0902 Å)
Cite:Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6UR3
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BU of 6ur3 by Molmil
Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors
Descriptor: 1,2-ETHANEDIOL, 2-hydroxyethyl hydrogen phenylboronate, Beta-lactamase, ...
Authors:Scapin, G.
Deposit date:2019-10-22
Release date:2019-10-30
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.423 Å)
Cite:Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
1J40
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BU of 1j40 by Molmil
Direct observation of photolysis-induced tertiary structural changes in human haemoglobin; Crystal structure of alpha(Ni)-beta(Fe-CO) hemoglobin (laser unphotolysed)
Descriptor: BUT-2-ENEDIAL, CARBON MONOXIDE, Hemoglobin alpha Chain, ...
Authors:Adachi, S, Park, S.-Y, Tame, J.R.H, Shiro, Y, Shibayama, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-02-21
Release date:2003-07-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Direct observation of photolysis-induced tertiary structural changes in hemoglobin
Proc.Natl.Acad.Sci.USA, 100, 2003
7Y5H
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BU of 7y5h by Molmil
Cryo-EM structure of a eukaryotic ZnT8 at a low pH
Descriptor: ZINC ION, Zinc transporter 8
Authors:Zhang, S, Fu, C, Luo, Y, Sun, Z, Su, Z, Zhou, X.
Deposit date:2022-06-17
Release date:2022-12-14
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:Cryo-EM structure of a eukaryotic zinc transporter at a low pH suggests its Zn 2+ -releasing mechanism.
J.Struct.Biol., 215, 2022
1J3Z
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BU of 1j3z by Molmil
Direct observation of photolysis-induced tertiary structural changes in human haemoglobin; Crystal structure of alpha(Fe-CO)-beta(Ni) hemoglobin (laser unphotolysed)
Descriptor: BUT-2-ENEDIAL, CARBON MONOXIDE, Hemoglobin alpha Chain, ...
Authors:Adachi, S, Park, S.-Y, Tame, J.R.H, Shiro, Y, Shibayama, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-02-21
Release date:2003-07-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Direct observation of photolysis-induced tertiary structural changes in hemoglobin
Proc.Natl.Acad.Sci.USA, 100, 2003
7U7N
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BU of 7u7n by Molmil
IL-27 quaternary receptor signaling complex
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-27 receptor subunit alpha, ...
Authors:Caveney, N.A, Glassman, C.R, Jude, K.M, Tsutsumi, N, Garcia, K.C.
Deposit date:2022-03-07
Release date:2022-05-25
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Structure of the IL-27 quaternary receptor signaling complex.
Elife, 11, 2022
5NS9
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BU of 5ns9 by Molmil
Crystal structure of the GluA2 LBD (L483Y-N754S-L758V) in complex with glutamate
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, GLUTAMIC ACID, Glutamate receptor 2,Glutamate receptor 2, ...
Authors:Eibl, C, Plested, A.J.R.
Deposit date:2017-04-25
Release date:2017-09-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Unitary Properties of AMPA Receptors with Reduced Desensitization.
Biophys. J., 113, 2017
7VNI
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BU of 7vni by Molmil
AHR-ARNT PAS-B heterodimer
Descriptor: Ahr homolog spineless, Aryl hydrocarbon receptor nuclear translocator, SULFATE ION
Authors:Dai, S.Y.
Deposit date:2021-10-11
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Structural insight into the ligand binding mechanism of aryl hydrocarbon receptor.
Nat Commun, 13, 2022
8DGF
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BU of 8dgf by Molmil
Avs4 bound to phage PhiV-1 portal
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding protein Avs4, MAGNESIUM ION, ...
Authors:Wilkinson, M.E, Gao, L, Strecker, J, Makarova, K.S, Macrae, R.K, Koonin, E.V, Zhang, F.
Deposit date:2022-06-23
Release date:2022-08-03
Last modified:2022-08-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Prokaryotic innate immunity through pattern recognition of conserved viral proteins.
Science, 377, 2022
3JYC
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BU of 3jyc by Molmil
Crystal structure of the eukaryotic strong inward-rectifier K+ channel Kir2.2 at 3.1 Angstrom resolution
Descriptor: Inward-rectifier K+ channel Kir2.2, POTASSIUM ION
Authors:Tao, X.
Deposit date:2009-09-21
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Crystal structure of the eukaryotic strong inward-rectifier K+ channel Kir2.2 at 3.1 A resolution.
Science, 326, 2009
8DGC
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BU of 8dgc by Molmil
Avs3 bound to phage PhiV-1 terminase
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, SeAvs3, ...
Authors:Wilkinson, M.E, Gao, L, Strecker, J, Makarova, K.S, Macrae, R.K, Koonin, E.V, Zhang, F.
Deposit date:2022-06-23
Release date:2022-08-03
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Prokaryotic innate immunity through pattern recognition of conserved viral proteins.
Science, 377, 2022
1G94
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BU of 1g94 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF THE TERNARY COMPLEX BETWEEN PSYCHROPHILIC ALPHA AMYLASE FROM PSEUDOALTEROMONAS HALOPLANCTIS IN COMPLEX WITH A HEPTA-SACCHARIDE AND A TRIS MOLECULE
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enopyranose-(1-4)-alpha-D-glucopyranose, 4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Aghajari, N, Roth, M, Haser, R.
Deposit date:2000-11-22
Release date:2001-12-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystallographic evidence of a transglycosylation reaction: ternary complexes of a psychrophilic alpha-amylase.
Biochemistry, 41, 2002
6UQS
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BU of 6uqs by Molmil
Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors
Descriptor: 2-hydroxyethyl hydrogen phenylboronate, Beta-lactamase, CHLORIDE ION
Authors:Scapin, G.
Deposit date:2019-10-21
Release date:2019-10-30
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
7VNN
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BU of 7vnn by Molmil
Complex structure of Clostridioides difficile enzymatic component (CDTa) and binding component (CDTb) pore with long stem
Descriptor: ADP-ribosylating binary toxin binding subunit CdtB, CALCIUM ION, CdtA
Authors:Yamada, T, Kawamoto, A, Yoshida, T, Sato, Y, Kato, T, Tsuge, H.
Deposit date:2021-10-11
Release date:2022-10-26
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:Cryo-EM structures of the translocational binary toxin complex CDTa-bound CDTb-pore from Clostridioides difficile.
Nat Commun, 13, 2022
7VNJ
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BU of 7vnj by Molmil
Complex structure of Clostridioides difficile enzymatic component (CDTa) and binding component (CDTb) pore with short stem
Descriptor: ADP-ribosylating binary toxin binding subunit CdtB, ADP-ribosyltransferase enzymatic component, CALCIUM ION
Authors:Yamada, T, Kawamoto, A, Yoshida, T, Sato, Y, Kato, T, Tsuge, H.
Deposit date:2021-10-11
Release date:2022-10-26
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.56 Å)
Cite:Cryo-EM structures of the translocational binary toxin complex CDTa-bound CDTb-pore from Clostridioides difficile.
Nat Commun, 13, 2022
2LGZ
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BU of 2lgz by Molmil
Solution structure of STT3P
Descriptor: Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit STT3
Authors:Huang, C, Bhaskaran, R, Mohanty, S.
Deposit date:2011-08-03
Release date:2012-08-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Eukaryotic N-Glycosylation Occurs via the Membrane-anchored C-terminal Domain of the Stt3p Subunit of Oligosaccharyltransferase.
J.Biol.Chem., 287, 2012

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