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7UK2
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BU of 7uk2 by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with NN-390
Descriptor: Hdac6 protein, N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide, POTASSIUM ION, ...
Authors:Erdogan, F, Seo, H.-S, Dhe-Paganon, S.
Deposit date:2022-03-31
Release date:2022-11-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High Efficacy and Drug Synergy of HDAC6-Selective Inhibitor NN-429 in Natural Killer (NK)/T-Cell Lymphoma.
Pharmaceuticals, 15, 2022
7OOU
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BU of 7oou by Molmil
NaK C-DI mutant with Li+ and K+
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
Authors:Minniberger, S, Plested, A.J.R.
Deposit date:2021-05-28
Release date:2022-06-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
7OQ1
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BU of 7oq1 by Molmil
NaK S-ELM mutant with Na+ and K+
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
Authors:Minniberger, S, Plested, A.J.R.
Deposit date:2021-06-02
Release date:2022-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
6PHJ
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BU of 6phj by Molmil
Crystal structure of native glucagon in space group P213 at 1.99 A resolution
Descriptor: Glucagon
Authors:Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
Deposit date:2019-06-25
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
6PHO
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BU of 6pho by Molmil
Crystal structure of glucagon analog with selenomethionine substitutions at position 1 and 27 in space group I41 at 1.42 A resolution
Descriptor: Glucagon
Authors:Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
Deposit date:2019-06-25
Release date:2020-07-01
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
7OQ2
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BU of 7oq2 by Molmil
NaK S-DI mutant soaked in Na+
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, POTASSIUM ION, ...
Authors:Minniberger, S, Plested, A.J.R.
Deposit date:2021-06-02
Release date:2022-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
6P0J
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BU of 6p0j by Molmil
Crystal structure of GDP-bound human RalA
Descriptor: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Ral-A
Authors:Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Meroueh, S.O.
Deposit date:2019-05-17
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
6PHK
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BU of 6phk by Molmil
Crystal structure of glucagon analog with mono-stereoinversion at position 21 (D-Asp21) in space group I41 at 1.18 A resolution
Descriptor: Glucagon
Authors:Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
Deposit date:2019-06-25
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
6PHP
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BU of 6php by Molmil
Crystal structure of glucagon analog with 4-bromo-phenylalanine substitutions at position 6 and 22 in space group I41 at 1.65 A resolution
Descriptor: Glucagon
Authors:Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
Deposit date:2019-06-25
Release date:2020-07-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
7PA0
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BU of 7pa0 by Molmil
NaK C-DI F92A mutant with Rb+ and K+
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ...
Authors:Minniberger, S, Plested, A.J.R.
Deposit date:2021-07-28
Release date:2022-08-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
6PHN
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BU of 6phn by Molmil
Crystal structure of glucagon analog composed of D-amino acids with mono-stereoinversion at position 23 (L-Val23) in space group I41 at 1.33 A resolution
Descriptor: D-glucagon L-Val23, SODIUM ION
Authors:Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
Deposit date:2019-06-25
Release date:2020-07-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
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:2023-11-15
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
6P7M
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BU of 6p7m by Molmil
Cryo-EM structure of LbCas12a-crRNA: AcrVA4 (1:2 complex)
Descriptor: Cas12a, MAGNESIUM ION, anti-CRISPR VA4, ...
Authors:Knott, G.J, Liu, J.J, Doudna, J.A.
Deposit date:2019-06-06
Release date:2019-08-21
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for AcrVA4 inhibition of specific CRISPR-Cas12a.
Elife, 8, 2019
6PHL
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BU of 6phl by Molmil
Crystal structure of glucagon analog with mono-stereoinversion at position 23 (D-Val23) in space group I41 at 1.44 A resolution
Descriptor: Glucagon
Authors:Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
Deposit date:2019-06-25
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.443 Å)
Cite:High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
6PHQ
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BU of 6phq by Molmil
Crystal structure of glucagon analog fully composed of D-amino acids with 4-bromo-D-phenylalanine substitutions at position 6 and 22 in space group I41 at 1.1 A resolution
Descriptor: D-glucagon D-BrPhe 6,22
Authors:Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
Deposit date:2019-06-25
Release date:2020-07-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
7PV8
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BU of 7pv8 by Molmil
InlB392_T332E: T332E variant of Listeria monocytogenes InlB (internalin B) residues 36-392
Descriptor: 1,2-ETHANEDIOL, Internalin B, POTASSIUM ION
Authors:Geerds, C, Niemann, H.H.
Deposit date:2021-10-01
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A recurring packing contact in crystals of InlB pinpoints functional binding sites in the internalin domain and the B repeat.
Acta Crystallogr D Struct Biol, 78, 2022
6YLV
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BU of 6ylv by Molmil
Translation initiation factor 4E in complex with 4-Cl-Bn7GpppG mRNA 5' cap analog
Descriptor: 4-Cl-Bn7GpppG mRNA 5' cap analog, Eukaryotic translation initiation factor 4E, GLYCEROL
Authors:Kubacka, D, Wojcik, R, Baranowski, M.R, Kowalska, J, Jemielity, J.
Deposit date:2020-04-07
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.66005659 Å)
Cite:Novel N7-Arylmethyl Substituted Dinucleotide mRNA 5' cap Analogs: Synthesis and Evaluation as Modulators of Translation.
Pharmaceutics, 13, 2021
7PPN
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BU of 7ppn by Molmil
SHP2 catalytic domain in complex with CD28 (183-198) phosphopeptide (pTyr-191, p-Thr-195)
Descriptor: GLYCEROL, T-cell-specific surface glycoprotein CD28, Tyrosine-protein phosphatase non-receptor type 11,Tyrosine-protein phosphatase non-receptor type 11
Authors:Sok, P, Zeke, A, Remenyi, A.
Deposit date:2021-09-14
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling.
Nat Commun, 13, 2022
7PPM
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BU of 7ppm by Molmil
SHP2 catalytic domain in complex with IRS1 (889-901) phosphopeptide (pSer-892, pTyr-896)
Descriptor: GLYCEROL, Insulin receptor substrate 1, Tyrosine-protein phosphatase non-receptor type 11,Tyrosine-protein phosphatase non-receptor type 11
Authors:Sok, P, Zeke, A, Remenyi, A.
Deposit date:2021-09-14
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling.
Nat Commun, 13, 2022
7PPL
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BU of 7ppl by Molmil
SHP2 catalytic domain in complex with IRS1 (625-639) phosphopeptide (pTyr-632, pSer-636)
Descriptor: ETHANOL, GLYCEROL, Insulin receptor substrate 1, ...
Authors:Sok, P, Zeke, A, Remenyi, A.
Deposit date:2021-09-14
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling.
Nat Commun, 13, 2022
8EUA
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BU of 8eua by Molmil
Structure of SARS-CoV2 PLpro bound to a covalent inhibitor
Descriptor: Papain-like protease nsp3, SULFATE ION, ZINC ION, ...
Authors:Mathews, I.I, Pokhrel, S, Wakatsuki, S.
Deposit date:2022-10-18
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Potent and selective covalent inhibition of the papain-like protease from SARS-CoV-2.
Nat Commun, 14, 2023
6XA9
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BU of 6xa9 by Molmil
SARS CoV-2 PLpro in complex with ISG15 C-terminal domain propargylamide
Descriptor: GLYCEROL, ISG15 CTD-propargylamide, Non-structural protein 3, ...
Authors:Klemm, T, Calleja, D.J, Richardson, L.W, Lechtenberg, B.C, Komander, D.
Deposit date:2020-06-04
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2.
Embo J., 39, 2020
6XTV
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BU of 6xtv by Molmil
FULL-LENGTH LTTR LYSG FROM CORYNEBACTERIUM GLUTAMICUM WITH BOUND EFFECTOR ARG
Descriptor: ARGININE, Lysine export transcriptional regulatory protein LysG
Authors:Hofmann, E, Syberg, F, Schlicker, C, Eggeling, L, Schendzielorz, G.
Deposit date:2020-01-16
Release date:2020-10-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Engineering and application of a biosensor with focused ligand specificity.
Nat Commun, 11, 2020
7Q7H
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BU of 7q7h by Molmil
Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at 51 MPa helium gas pressure in a sapphire capillary
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
Authors:Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q7M
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BU of 7q7m by Molmil
Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at 100 MPa helium gas pressure in a sapphire capillary
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
Authors:Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published

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PDB entries from 2024-10-09

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