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6FZL
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BU of 6fzl by Molmil
Crystal structure of human transthyretin double mutant K35T/T119M
Descriptor: Transthyretin
Authors:Esperante, S, Ventura, S, Reverter, D, Varejao, N.
Deposit date:2018-03-15
Release date:2019-03-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.446 Å)
Cite:Disease-associated mutations impacting BC-loop flexibility trigger long-range transthyretin tetramer destabilization and aggregation.
J.Biol.Chem., 297, 2021
6YGJ
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BU of 6ygj by Molmil
small-molecule stabilizer of 14-3-3 and the Carbohydrate Response Element Binding Protein (ChREBP) protein-protein interaction
Descriptor: 14-3-3 protein beta/alpha, Carbohydrate-responsive element-binding protein, [2-[2-oxidanylidene-2-(2-phenylethylamino)ethoxy]phenyl]phosphonic acid
Authors:Ottmann, C, Visser, E.J.
Deposit date:2020-03-27
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structure-based evolution of a promiscuous inhibitor to a selective stabilizer of protein-protein interactions.
Nat Commun, 11, 2020
6PHM
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BU of 6phm by Molmil
Crystal structure of glucagon analog fully composed of D-amino acids in space group I41 at 1.1 A resolution
Descriptor: D-glucagon, SULFATE ION
Authors:Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
Deposit date:2019-06-25
Release date:2020-07-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
6PHR
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BU of 6phr by Molmil
Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 5-[(3-aminopropyl)amino]pentane-1-thiol
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[(3-aminopropyl)amino]pentane-1-thiol, Acetylpolyamine amidohydrolase, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2019-06-25
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani.
Biochemistry, 58, 2019
6FXX
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BU of 6fxx by Molmil
Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Cocrystal with Fe2+, Mn2+, UDP-Gal, Hg2+ Soak
Descriptor: 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scietti, L, Chiapparino, A, De Giorgi, F, Fumagalli, M, Khoriauli, L, Nergadze, S, Basu, S, Olieric, V, Banushi, B, Giulotto, E, Gissen, P, Forneris, F.
Deposit date:2018-03-09
Release date:2018-08-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular architecture of the multifunctional collagen lysyl hydroxylase and glycosyltransferase LH3.
Nat Commun, 9, 2018
5HMZ
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BU of 5hmz by Molmil
Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 23
Descriptor: 5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-4-methoxy-2-methyl-N-(methylsulfonyl)benzamide, RNA-directed RNA polymerase NS5, ZINC ION
Authors:Noble, C.G.
Deposit date:2016-01-17
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Discovery of Potent Non-Nucleoside Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase from a Fragment Hit Using Structure-Based Drug Design
J.Med.Chem., 59, 2016
5DLV
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BU of 5dlv by Molmil
Crystal structure of Autotaxin (ENPP2) with tauroursodeoxycholic acid (TUDCA)
Descriptor: 2-{[(3alpha,5beta,7alpha,8alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ...
Authors:Keune, W.J, Heidebrecht, T, von Castelmur, E, Joosten, R.P, Perrakis, A.
Deposit date:2015-09-07
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Steroid binding to Autotaxin links bile salts and lysophosphatidic acid signalling.
Nat Commun, 7, 2016
6UZ6
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BU of 6uz6 by Molmil
Crystal structure of GLUN1/GLUN2A-4M mutant ligand-binding domain in complex with glycine and glutamate
Descriptor: GLUTAMIC ACID, GLYCINE, Glutamate receptor ionotropic, ...
Authors:Wang, J.X, Furukawa, H.
Deposit date:2019-11-14
Release date:2020-01-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural basis of subtype-selective competitive antagonism for GluN2C/2D-containing NMDA receptors.
Nat Commun, 11, 2020
5W11
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BU of 5w11 by Molmil
Biochemical and structural insights into the catalytic mechanism of thermostable cellobiohydrolase Cel7A from industrially relevant fungus Myceliophthora thermophila
Descriptor: Glucanase, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM, alpha-D-mannopyranose, ...
Authors:Kadowaki, M.A.S, Higasi, P, de Godoy, M.O, Prade, R.A, Polikarpov, I.
Deposit date:2017-06-01
Release date:2017-12-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.311 Å)
Cite:Biochemical and structural insights into a thermostable cellobiohydrolase from Myceliophthora thermophila.
FEBS J., 285, 2018
5DMM
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BU of 5dmm by Molmil
Crystal Structure of the Homocysteine Methyltransferase MmuM from Escherichia coli, Metallated form
Descriptor: 2-AMINO-4-MERCAPTO-BUTYRIC ACID, BETA-MERCAPTOETHANOL, Homocysteine S-methyltransferase, ...
Authors:Li, K, Li, G, Bradbury, L.M.T, Andrew, H.D, Bruner, S.D.
Deposit date:2015-09-09
Release date:2015-11-25
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.779 Å)
Cite:Crystal structure of the homocysteine methyltransferase MmuM from Escherichia coli.
Biochem.J., 473, 2016
5KUL
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BU of 5kul by Molmil
Human cyclophilin A at 100K, Data set 1
Descriptor: Peptidyl-prolyl cis-trans isomerase A
Authors:Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
Deposit date:2016-07-13
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
6PJJ
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BU of 6pjj by Molmil
Human PRPF4B bound to benzothiophene inhibitor 224
Descriptor: 1,2-ETHANEDIOL, 4-(5-{[(3-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, PHOSPHATE ION, ...
Authors:Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC)
Deposit date:2019-06-28
Release date:2019-08-28
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:to be published
To Be Published
6USI
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BU of 6usi by Molmil
Barrier-to-autointegration factor soaked in 1,6-hexanediol: 1 of 14 in MSCS set
Descriptor: Barrier-to-autointegration factor, ETHANOL
Authors:Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
Deposit date:2019-10-26
Release date:2020-10-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.653 Å)
Cite:Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
8ODR
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BU of 8odr by Molmil
Mimetic of UBC9-SUMO1
Descriptor: SULFATE ION, SUMO-conjugating enzyme UBC9, Small ubiquitin-related modifier 1
Authors:Coste, F, Goffinont, S, Suskiewicz, M.J.
Deposit date:2023-03-09
Release date:2023-06-07
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural insights into the regulation of the human E2∼SUMO conjugate through analysis of its stable mimetic.
J.Biol.Chem., 299, 2023
6PRT
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BU of 6prt by Molmil
Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 10 (methyl [(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetate)
Descriptor: Bromodomain-containing protein 4, methyl [(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetate
Authors:Ilyichova, O.V, Scanlon, M.J.
Deposit date:2019-07-11
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Synthesis and elaboration of N-methylpyrrolidone as an acetamide fragment substitute in bromodomain inhibition.
Bioorg.Med.Chem., 27, 2019
5KU8
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BU of 5ku8 by Molmil
Crystal structure of CK2
Descriptor: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ...
Authors:Ferguson, A.D, Dowling, J.
Deposit date:2016-07-13
Release date:2017-11-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Crystal structure of CK2
Not Published
8OOV
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BU of 8oov by Molmil
human NME-1 in complex with CoA
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase A
Authors:Gouge, J, Hristov, H.D.
Deposit date:2023-04-06
Release date:2023-06-07
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Unique Mode of Coenzyme A Binding to the Nucleotide Binding Pocket of Human Metastasis Suppressor NME1.
Int J Mol Sci, 24, 2023
6MV9
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BU of 6mv9 by Molmil
X-ray crystal structure of Bacillus subtilis ribonucleotide reductase NrdE alpha subunit with TTP and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ribonucleoside-diphosphate reductase, ...
Authors:Thomas, W.C, Brooks, F.P, Bacik, J.P, Ando, N.
Deposit date:2018-10-24
Release date:2019-06-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Convergent allostery in ribonucleotide reductase.
Nat Commun, 10, 2019
5KUS
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BU of 5kus by Molmil
Human cyclophilin A at 100K, Data set 6
Descriptor: Peptidyl-prolyl cis-trans isomerase A
Authors:Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
Deposit date:2016-07-13
Release date:2016-08-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
6XZN
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BU of 6xzn by Molmil
Arabidopsis UV-B photoreceptor UVR8 mutant G101S W285A
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, TRIETHYLENE GLYCOL, ...
Authors:Lau, K, Hothorn, M.
Deposit date:2020-02-04
Release date:2021-01-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A constitutively monomeric UVR8 photoreceptor confers enhanced UV-B photomorphogenesis.
Proc.Natl.Acad.Sci.USA, 118, 2021
5DS4
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BU of 5ds4 by Molmil
Crystal structure the Escherichia coli Cas1-Cas2 complex bound to protospacer DNA
Descriptor: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (28-MER)
Authors:Nunez, J.K, Harrington, L.B, Kranzusch, P.J, Engelman, A.N, Doudna, J.A.
Deposit date:2015-09-16
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Foreign DNA capture during CRISPR-Cas adaptive immunity.
Nature, 527, 2015
5KV1
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BU of 5kv1 by Molmil
Human cyclophilin A at 278K, Data set 3
Descriptor: Peptidyl-prolyl cis-trans isomerase A
Authors:Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
Deposit date:2016-07-13
Release date:2016-08-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
7CFU
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BU of 7cfu by Molmil
Crystal Structure of FMN-dependent Cysteine Decarboxylases SpaF
Descriptor: ARGININE, DNA/pantothenate metabolism flavoprotein, FLAVIN MONONUCLEOTIDE
Authors:Li, J, Lu, J, Wang, H, Zhu, J.
Deposit date:2020-06-28
Release date:2021-06-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Characterization of FMN-dependent Cysteine Decarboxylases SPAF
To Be Published
5HWE
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BU of 5hwe by Molmil
high resolution structure of barbiturase
Descriptor: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Barbiturase, MAGNESIUM ION, ...
Authors:Peat, T.S, Scott, C.
Deposit date:2016-01-29
Release date:2017-02-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:High-Resolution X-Ray Structures of Two Functionally Distinct Members of the Cyclic Amide Hydrolase Family of Toblerone Fold Enzymes.
Appl. Environ. Microbiol., 83, 2017
6PM7
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BU of 6pm7 by Molmil
The structure of the triclinic crystal form of beef liver catalase at 1.85 A resolution
Descriptor: Catalase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTOPORPHYRIN IX CONTAINING FE
Authors:McPherson, A.
Deposit date:2019-07-01
Release date:2020-05-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The structure of the triclinic crystal form of beef liver catalase at 1.85 A resolution
to be published

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PDB entries from 2024-11-06

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