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7BRT
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BU of 7brt by Molmil
Crystal structure of Sec62 LIR fused to GABARAP
Descriptor: Translocation protein SEC62,Gamma-aminobutyric acid receptor-associated protein
Authors:Yamasaki, A, Noda, N.N.
Deposit date:2020-03-30
Release date:2020-07-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Super-assembly of ER-phagy receptor Atg40 induces local ER remodeling at contacts with forming autophagosomal membranes.
Nat Commun, 11, 2020
7BRU
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BU of 7bru by Molmil
Crystal structure of human RTN3 LIR fused to human GABARAP
Descriptor: PHOSPHATE ION, Reticulon-3,Gamma-aminobutyric acid receptor-associated protein
Authors:Yamasaki, A, Noda, N.N.
Deposit date:2020-03-30
Release date:2020-07-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.149 Å)
Cite:Super-assembly of ER-phagy receptor Atg40 induces local ER remodeling at contacts with forming autophagosomal membranes.
Nat Commun, 11, 2020
3PBP
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BU of 3pbp by Molmil
Structure of the yeast heterotrimeric Nup82-Nup159-Nup116 nucleoporin complex
Descriptor: Nucleoporin NUP116/NSP116, Nucleoporin NUP159, Nucleoporin NUP82, ...
Authors:Debler, E.W, Hoelz, A.
Deposit date:2010-10-20
Release date:2011-10-26
Last modified:2011-11-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and functional analysis of an essential nucleoporin heterotrimer on the cytoplasmic face of the nuclear pore complex.
Proc.Natl.Acad.Sci.USA, 108, 2011
7NS0
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BU of 7ns0 by Molmil
Bacilladnavirus capsid structure
Descriptor: Capsid protein VP2
Authors:Munke, A, Okamoto, K.
Deposit date:2021-03-05
Release date:2022-07-20
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Primordial Capsid and Spooled ssDNA Genome Structures Unravel Ancestral Events of Eukaryotic Viruses.
Mbio, 13, 2022
3X24
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BU of 3x24 by Molmil
Crystal structure of Nitrile Hydratase mutant bR56K complexed with Trimethylacetonitrile, photo-activated for 120 min
Descriptor: 2,2-dimethylpropanenitrile, FE (III) ION, MAGNESIUM ION, ...
Authors:Yamanaka, Y, Hashimoto, K, Noguchi, K, Yohda, M, Odaka, M.
Deposit date:2014-12-10
Release date:2016-01-27
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Time-Resolved Crystallography of the Reaction Intermediate of Nitrile Hydratase: Revealing a Role for the Cysteinesulfenic Acid Ligand as a Catalytic Nucleophile.
Angew.Chem.Int.Ed.Engl., 54, 2015
8WU5
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BU of 8wu5 by Molmil
The complex of CAG repeat sequence-specific binding cPIP and dsDNA with A-A mismatch
Descriptor: (1^2Z,4^2Z,11^2Z,14^2Z,22^2Z,25^2Z,32^2Z,35^2Z,19R,40R)-1^1,4^1,11^1,14^1,22^1,25^1,32^1,35^1-octamethyl-2,5,9,12,15,20,23,26,30,33,36,41-dodecaoxo-1^1H,4^1H,11^1H,14^1H,22^1H,25^1H,32^1H,35^1H-3,6,10,13,16,21,24,27,31,34,37,42-dodecaaza-1(2,4),11,22,32(4,2)-tetraimidazola-4,14,25,35(4,2)-tetrapyrrolacyclodotetracontaphane-19,40-diaminium, DNA (5'-D(*GP*CP*(CBR)P*GP*AP*GP*CP*AP*GP*CP*AP*CP*GP*GP*C)-3')
Authors:Abe, K, Takeda, K, Sugiyama, H.
Deposit date:2023-10-20
Release date:2024-06-05
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Studies of a Complex of a CAG/CTG Repeat Sequence-Specific Binding Molecule and A-A-Mismatch-Containing DNA.
Jacs Au, 4, 2024
4M8T
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BU of 4m8t by Molmil
RSK2 T493M C-Terminal Kinase Domain in complex with 3-(3-(1H-pyrazol-4-yl)phenyl)-2-cyanoacrylamide
Descriptor: (2E)-2-cyano-3-[3-(1H-pyrazol-4-yl)phenyl]prop-2-enamide, Ribosomal protein S6 kinase alpha-3, SODIUM ION
Authors:Miller, R.M, Taunton, J.
Deposit date:2013-08-13
Release date:2014-10-22
Last modified:2014-11-26
Method:X-RAY DIFFRACTION (3 Å)
Cite:Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
5X9O
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BU of 5x9o by Molmil
Crystal structure of the BCL6 BTB domain in complex with Compound 1a
Descriptor: 1,2-ETHANEDIOL, 5-[(2-chloranyl-4-nitro-phenyl)amino]-1,3-dihydrobenzimidazol-2-one, B-cell lymphoma 6 protein, ...
Authors:Sogabe, S, Ida, K, Lane, W, Snell, G.
Deposit date:2017-03-08
Release date:2017-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design
Bioorg. Med. Chem., 25, 2017
5X9P
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BU of 5x9p by Molmil
Crystal structure of the BCL6 BTB domain in complex with Compound 5
Descriptor: 3-[[4-chloranyl-2-nitro-5-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]phenyl]amino]propanoic acid, B-cell lymphoma 6 protein
Authors:Sogabe, S, Ida, K, Lane, W, Snell, G.
Deposit date:2017-03-08
Release date:2017-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design
Bioorg. Med. Chem., 25, 2017
7F1A
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BU of 7f1a by Molmil
Odinarchaeota tubulin (OdinTubulin) H393D mutant, in a protofilament arrangement, bound 78% GTP/22% GDP 1 K+, 1 Mg2+
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Robinson, R.C, Akil, C, Tran, L.T.
Deposit date:2021-06-08
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and dynamics of Odinarchaeota tubulin and the implications for eukaryotic microtubule evolution.
Sci Adv, 8, 2022
7EVG
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BU of 7evg by Molmil
Apo Odinarchaeota tubulin (OdinTubulin) H393D mutant, in a psuedo-protofilament arrangement
Descriptor: PHOSPHATE ION, Tubulin-like protein
Authors:Robinson, R.C, Akil, C, Tran, L.T.
Deposit date:2021-05-21
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structure and dynamics of Odinarchaeota tubulin and the implications for eukaryotic microtubule evolution.
Sci Adv, 8, 2022
7EVE
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BU of 7eve by Molmil
Odinarchaeota tubulin (OdinTubulin) H393D mutant, in a protofilament arrangement, bound to 100% GDP and 2 Na+
Descriptor: GUANOSINE-5'-DIPHOSPHATE, SODIUM ION, Tubulin-like protein
Authors:Robinson, R.C, Akil, C, Tran, L.T.
Deposit date:2021-05-21
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and dynamics of Odinarchaeota tubulin and the implications for eukaryotic microtubule evolution.
Sci Adv, 8, 2022
7EVC
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BU of 7evc by Molmil
Odinarchaeota tubulin (OdinTubulin) H393D mutant, in a protofilament arrangement, bound to 60% GTP/40% GDP and 2 Na+
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, SODIUM ION, ...
Authors:Robinson, R.C, Akil, C, Tran, L.T.
Deposit date:2021-05-21
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structure and dynamics of Odinarchaeota tubulin and the implications for eukaryotic microtubule evolution.
Sci Adv, 8, 2022
7EVB
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BU of 7evb by Molmil
Odinarchaeota tubulin (OdinTubulin) H393D mutant, in a protofilament arrangement, bound to 77% GTP/23% and 2 Na+
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, SODIUM ION, ...
Authors:Robinson, R.C, Akil, C.
Deposit date:2021-05-21
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure and dynamics of Odinarchaeota tubulin and the implications for eukaryotic microtubule evolution.
Sci Adv, 8, 2022
7EVL
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BU of 7evl by Molmil
Odinarchaeota tubulin (OdinTubulin) H393D mutant, in a protofilament arrangement, bound to 64% GTP/36% GDP and 2 Na+ in a small unit cell
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, SODIUM ION, ...
Authors:Robinson, R.C, Akil, C, Tran, L.T.
Deposit date:2021-05-21
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure and dynamics of Odinarchaeota tubulin and the implications for eukaryotic microtubule evolution.
Sci Adv, 8, 2022
7EVD
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BU of 7evd by Molmil
Odinarchaeota tubulin (OdinTubulin) H393D mutant, in a protofilament arrangement, bound to 53% GTP/47% and 2 Na+
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, SODIUM ION, ...
Authors:Robinson, R.C, Akil, C, Tran, L.T.
Deposit date:2021-05-21
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure and dynamics of Odinarchaeota tubulin and the implications for eukaryotic microtubule evolution.
Sci Adv, 8, 2022
7EVK
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BU of 7evk by Molmil
Odinarchaeota tubulin (OdinTubulin) H393D mutant, in a protofilament arrangement, bound to 78% GTP, 22% GDP, Na+
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, SODIUM ION, ...
Authors:Robinson, R.C, Akil, C, Tran, L.T.
Deposit date:2021-05-21
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure and dynamics of Odinarchaeota tubulin and the implications for eukaryotic microtubule evolution.
Sci Adv, 8, 2022
7F1B
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BU of 7f1b by Molmil
Odinarchaeota tubulin H393D mutant, in a pseudo protofilament arrangement, after GTP hydrolysis and phosphate release
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Tubulin-like protein
Authors:Robinson, R.C, Akil, C, Tran, L.T.
Deposit date:2021-06-08
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure and dynamics of Odinarchaeota tubulin and the implications for eukaryotic microtubule evolution.
Sci Adv, 8, 2022
5UGG
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BU of 5ugg by Molmil
Protease Inhibitor
Descriptor: Nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-N-octyl-O-[(quinolin-2-yl)methyl]-L-tyrosinamide, Plasminogen
Authors:Law, R.H.P, Wu, G, Whisstock, J.C.
Deposit date:2017-01-08
Release date:2017-05-31
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:X-ray crystal structure of plasmin with tranexamic acid-derived active site inhibitors.
Blood Adv, 1, 2017
5UGD
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BU of 5ugd by Molmil
Protease Inhibitor
Descriptor: Nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-N-octyl-O-[(pyridin-4-yl)methyl]-L-tyrosinamide, Plasminogen
Authors:Law, R.H.P, Wu, G, Whisstock, J.C.
Deposit date:2017-01-08
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:X-ray crystal structure of plasmin with tranexamic acid-derived active site inhibitors.
Blood Adv, 1, 2017
6OIM
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BU of 6oim by Molmil
Crystal Structure of human KRAS G12C covalently bound to AMG 510
Descriptor: AMG 510 (bound form), GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Mohr, C.
Deposit date:2019-04-09
Release date:2019-11-06
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The clinical KRAS(G12C) inhibitor AMG 510 drives anti-tumour immunity.
Nature, 575, 2019
1IQQ
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BU of 1iqq by Molmil
Crystal Structure of Japanese pear S3-RNase
Descriptor: S3-RNase, beta-D-xylopyranose-(1-2)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Matsuura, T, Sakai, H, Norioka, S.
Deposit date:2001-07-25
Release date:2001-11-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure at 1.5-A resolution of Pyrus pyrifolia pistil ribonuclease responsible for gametophytic self-incompatibility.
J.Biol.Chem., 276, 2001
2YW9
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BU of 2yw9 by Molmil
Crystal structure of TT0143 from Thermus thermophilus HB8
Descriptor: Enoyl-[acyl carrier protein] reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Miyano, M, Ago, H, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-20
Release date:2007-05-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of TT0143 from Thermus thermophilus HB8
To be Published
7M3Z
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BU of 7m3z by Molmil
Structure of TIM-3 in complex with N-(4-(8-chloro-2-mehtyl-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-9-yl)-3-methylphenyl)methanesulfonamdide (compound 35)
Descriptor: CALCIUM ION, Hepatitis A virus cellular receptor 2, N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}methanesulfonamide
Authors:Rietz, T.A.
Deposit date:2021-03-19
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Fragment-Based Discovery of Small Molecules Bound to T-Cell Immunoglobulin and Mucin Domain-Containing Molecule 3 (TIM-3).
J.Med.Chem., 64, 2021
7M3Y
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BU of 7m3y by Molmil
Structure of TIM-3 in complex with 8-chloro-2-methyl-9-(3-mehtylpyridin-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one (compound 22)
Descriptor: (4R,10aP)-8-chloro-2-methyl-9-(3-methylpyridin-4-yl)[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one, CALCIUM ION, Hepatitis A virus cellular receptor 2
Authors:Rietz, T.A.
Deposit date:2021-03-19
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Fragment-Based Discovery of Small Molecules Bound to T-Cell Immunoglobulin and Mucin Domain-Containing Molecule 3 (TIM-3).
J.Med.Chem., 64, 2021

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