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6L0U
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Crystal structure of mouse glyoxalase I complexed with a small molecule inhibitor
Descriptor: Lactoylglutathione lyase, N-[4-(trifluoromethyloxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide, ZINC ION
Authors:Jiang, L.L, Zhou, L.
Deposit date:2019-09-27
Release date:2020-09-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of mouse glyoxalase I complexed with a small molecule inhibitor
To Be Published
4QQE
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BU of 4qqe by Molmil
Crystal structure of WDR5, WD repeat domain 5 in complex with compound SGC-DS-MT-0345
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, N-[2-(4-methylpiperazin-1-yl)-5-(quinolin-3-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, ...
Authors:Dong, A, Dombrovski, L, Wernimont, A, Smil, D, Getlik, M, Senisterra, G, Poda, G, Al-Awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2014-06-27
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of WDR5, WD repeat domain 5 in complex with compound SGC-DS-MT-0345
To be Published
1TRU
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BU of 1tru by Molmil
THE HIGH-RESOLUTION THREE-DIMENSIONAL SOLUTION STRUCTURES OF THE OXIDIZED AND REDUCED STATES OF HUMAN THIOREDOXIN
Descriptor: THIOREDOXIN
Authors:Clore, G.M, Qin, J, Gronenborn, A.M.
Deposit date:1994-05-10
Release date:1994-09-30
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:The high-resolution three-dimensional solution structures of the oxidized and reduced states of human thioredoxin.
Structure, 2, 1994
1TRV
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BU of 1trv by Molmil
THE HIGH-RESOLUTION THREE-DIMENSIONAL SOLUTION STRUCTURES OF THE OXIDIZED AND REDUCED STATES OF HUMAN THIOREDOXIN
Descriptor: THIOREDOXIN
Authors:Clore, G.M, Qin, J, Gronenborn, A.M.
Deposit date:1994-05-10
Release date:1994-09-30
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The high-resolution three-dimensional solution structures of the oxidized and reduced states of human thioredoxin.
Structure, 2, 1994
6EKL
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BU of 6ekl by Molmil
Crystal structure of mammalian Rev7 in complex with human Chromosome alignment-maintaining phosphoprotein 1
Descriptor: Chromosome alignment-maintaining phosphoprotein 1, Mitotic spindle assembly checkpoint protein MAD2B
Authors:Huber, F, Tropia, L, Emamzadah, S, Halazonetis, T.
Deposit date:2017-09-26
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of mammalian Rev7 in complex with Champ1
To Be Published
1TRW
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BU of 1trw by Molmil
THE HIGH-RESOLUTION THREE-DIMENSIONAL SOLUTION STRUCTURES OF THE OXIDIZED AND REDUCED STATES OF HUMAN THIOREDOXIN
Descriptor: THIOREDOXIN
Authors:Clore, G.M, Qin, J, Gronenborn, A.M.
Deposit date:1994-05-10
Release date:1994-09-30
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The high-resolution three-dimensional solution structures of the oxidized and reduced states of human thioredoxin.
Structure, 2, 1994
6XYO
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BU of 6xyo by Molmil
Multiple system atrophy Type I alpha-synuclein filament
Descriptor: Alpha-synuclein
Authors:Schweighauser, M, Shi, Y, Tarutani, A, Kametani, F, Murzin, A.G, Ghetti, B, Matsubara, T, Tomita, T, Ando, T, Hasegawa, K, Murayama, S, Yoshida, M, Hasegawa, M, Scheres, S.H.W, Goedert, M.
Deposit date:2020-01-30
Release date:2020-02-12
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structures of alpha-synuclein filaments from multiple system atrophy.
Nature, 585, 2020
5YIV
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Caulobacter crescentus GcrA DNA-binding domain(DBD) in complex with methylated dsDNA(crystal form 1)
Descriptor: Cell cycle regulatory protein GcrA, DNA (5'-D(*CP*CP*GP*(6MA)P*AP*TP*CP*AP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*(6MA)P*TP*TP*CP*G)-3')
Authors:Wu, X, Zhang, Y.
Deposit date:2017-10-06
Release date:2018-03-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.914 Å)
Cite:Structural insights into the unique mechanism of transcription activation by Caulobacter crescentus GcrA.
Nucleic Acids Res., 46, 2018
5Y81
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NuA4 TEEAA sub-complex
Descriptor: Actin, Actin-related protein 4, Chromatin modification-related protein EAF1, ...
Authors:Wang, X, Cai, G.
Deposit date:2017-08-18
Release date:2018-04-18
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Architecture of the Saccharomyces cerevisiae NuA4/TIP60 complex
Nat Commun, 9, 2018
1A6R
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BU of 1a6r by Molmil
GAL6 (YEAST BLEOMYCIN HYDROLASE) MUTANT C73A
Descriptor: GAL6, SULFATE ION
Authors:Joshua-Tor, L, Zheng, W, Johnston, S.A.
Deposit date:1998-02-27
Release date:1998-10-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The unusual active site of Gal6/bleomycin hydrolase can act as a carboxypeptidase, aminopeptidase, and peptide ligase.
Cell(Cambridge,Mass.), 93, 1998
5MKF
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BU of 5mkf by Molmil
cryoEM Structure of Polycystin-2 in complex with calcium and lipids
Descriptor: 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wilkes, M, Madej, M.G, Ziegler, C.
Deposit date:2016-12-04
Release date:2017-01-18
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Molecular insights into lipid-assisted Ca(2+) regulation of the TRP channel Polycystin-2.
Nat. Struct. Mol. Biol., 24, 2017
8BNT
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BU of 8bnt by Molmil
The DH domain of ARHGEF2 bound to RhoA
Descriptor: DIMETHYL SULFOXIDE, FORMIC ACID, Rho guanine nucleotide exchange factor 2, ...
Authors:Bradshaw, W.J, Katis, V.L, Grosjean, H, Bountra, C, von Delft, F, Brennan, P.E.
Deposit date:2022-11-25
Release date:2022-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The DH domain of ARHGEF2 bound to RhoA
To Be Published
6MAJ
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BU of 6maj by Molmil
HBO1 is required for the maintenance of leukaemia stem cells
Descriptor: 4-fluoro-N'-[(3-hydroxyphenyl)sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide, BRD1 protein, GLYCEROL, ...
Authors:Ren, B, Peat, T.S, Monahan, B, Dawson, M, Street, I.
Deposit date:2018-08-27
Release date:2019-12-25
Last modified:2020-01-22
Method:X-RAY DIFFRACTION (2.139 Å)
Cite:HBO1 is required for the maintenance of leukaemia stem cells.
Nature, 577, 2020
6MAK
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BU of 6mak by Molmil
HBO1 is required for the maintenance of leukaemia stem cells
Descriptor: ACETYL COENZYME *A, BRD1 protein, Histone acetyltransferase KAT7, ...
Authors:Ren, B, Peat, T.S, Monahan, B, Dawson, M, Street, I.
Deposit date:2018-08-27
Release date:2019-12-25
Last modified:2020-01-22
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:HBO1 is required for the maintenance of leukaemia stem cells.
Nature, 577, 2020
5MKE
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BU of 5mke by Molmil
cryoEM Structure of Polycystin-2 in complex with cations and lipids
Descriptor: 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wilkes, M, Madej, M.G, Ziegler, C.
Deposit date:2016-12-04
Release date:2017-01-18
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Molecular insights into lipid-assisted Ca(2+) regulation of the TRP channel Polycystin-2.
Nat. Struct. Mol. Biol., 24, 2017
4POL
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BU of 4pol by Molmil
Crystal structures of thioredoxin with mesna at 2.8A resolution
Descriptor: 1-THIOETHANESULFONIC ACID, Thioredoxin
Authors:Sridhar, V, Chie-Leon, B, Badger, J, Nienaber, V.L, Hausheer, F.H.
Deposit date:2014-02-26
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:BNP7787 Forms Novel Covalent Adducts on Human Thioredoxin and Modulates Thioredoxin Activity
J Pharmacol Clin Toxicol, 2, 2014
4P5O
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BU of 4p5o by Molmil
Structure of an RBX1-UBC12~NEDD8-CUL1-DCN1 complex: a RING-E3-E2~ubiquitin-like protein-substrate intermediate trapped in action
Descriptor: Cullin-1, DCN1-like protein 1, E3 ubiquitin-protein ligase RBX1, ...
Authors:Scott, D.C, Schulman, B.A.
Deposit date:2014-03-18
Release date:2014-07-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.1071 Å)
Cite:Structure of a RING E3 Trapped in Action Reveals Ligation Mechanism for the Ubiquitin-like Protein NEDD8.
Cell, 157, 2014
8H03
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BU of 8h03 by Molmil
Major polymorph in alpha-synuclein fibril seeded by cerebrospinal fluid from a preclinical Parkinson's disease patient
Descriptor: Alpha-synuclein
Authors:Fan, Y, Sun, Y.P, Wang, J, Liu, C.
Deposit date:2022-09-28
Release date:2022-11-30
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023
8H05
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BU of 8h05 by Molmil
Minor polymorph in alpha-synuclein fibril seeded by cerebrospinal fluid from a postmortal Parkinson's disease patient
Descriptor: Alpha-synuclein
Authors:Fan, Y, Sun, Y.P, Wang, J, Liu, C.
Deposit date:2022-09-28
Release date:2022-11-30
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023
8H04
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BU of 8h04 by Molmil
Major polymorph in alpha-synuclein fibril seeded by cerebrospinal fluid from a postmortal Parkinson's disease patient
Descriptor: Alpha-synuclein
Authors:Fan, Y, Sun, Y.P, Wang, J, Liu, C.
Deposit date:2022-09-28
Release date:2022-11-30
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023
8T5I
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BU of 8t5i by Molmil
Crystal structure of human WDR5 in complex with MR4397
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(2S)-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-oxopentan-2-yl]-3-[(1H-imidazol-1-yl)methyl]benzamide, ...
Authors:Kimani, S, Dong, A, Li, F, Loppnau, P, Ackloo, S, Vedadi, M, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2023-06-13
Release date:2023-08-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of human WDR5 in complex with MR4397
To be published
7UAK
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BU of 7uak by Molmil
Structure of recombinantly assembled A53E alpha-synuclein fibrils
Descriptor: Alpha-synuclein
Authors:Zhou, K, Zhou, H.
Deposit date:2022-03-13
Release date:2023-03-29
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Cryo-EM structure of amyloid fibril formed by alpha-synuclein hereditary A53E mutation reveals a distinct protofilament interface.
J.Biol.Chem., 299, 2023
1L3R
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BU of 1l3r by Molmil
Crystal Structure of a Transition State Mimic of the Catalytic Subunit of cAMP-dependent Protein Kinase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, ...
Authors:Madhusudan, Akamine, P, Xuong, N.-H, Taylor, S.S.
Deposit date:2002-02-28
Release date:2002-03-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a transition state mimic of the catalytic subunit of cAMP-dependent protein kinase.
Nat.Struct.Biol., 9, 2002
4ERK
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BU of 4erk by Molmil
THE COMPLEX STRUCTURE OF THE MAP KINASE ERK2/OLOMOUCINE
Descriptor: EXTRACELLULAR REGULATED KINASE 2, OLOMOUCINE, SULFATE ION
Authors:Wang, Z, Canagarajah, B, Boehm, J.C, Cobb, M.H, Young, P.R, Abdel-Meguid, S, Adams, J.L, Goldsmith, E.J.
Deposit date:1998-07-09
Release date:1999-07-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of inhibitor selectivity in MAP kinases.
Structure, 6, 1998
1HWT
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BU of 1hwt by Molmil
STRUCTURE OF A HAP1/DNA COMPLEX REVEALS DRAMATICALLY ASYMMETRIC DNA BINDING BY A HOMODIMERIC PROTEIN
Descriptor: DNA (5'-D(*GP*CP*GP*CP*TP*AP*TP*TP*AP*TP*CP*GP*CP*TP*AP*TP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*AP*TP*AP*GP*CP*GP*AP*TP*AP*AP*TP*AP*GP*CP*GP*C)-3'), PROTEIN (HEME ACTIVATOR PROTEIN), ...
Authors:King, D.A, Zhang, L, Guarente, L, Marmorstein, R.
Deposit date:1998-09-17
Release date:1999-11-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of a HAP1-DNA complex reveals dramatically asymmetric DNA binding by a homodimeric protein.
Nat.Struct.Biol., 6, 1999

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