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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
6PQ7
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BU of 6pq7 by Molmil
Structure of the iMango-III fluorescent aptamer at room temperature.
Descriptor: MAGNESIUM ION, POTASSIUM ION, RNA (37-MER), ...
Authors:Trachman III, R.J, Ferre-D'Amare, A.R.
Deposit date:2019-07-08
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Co-crystal structure of the iMango-III fluorescent RNA aptamer using an X-ray free-electron laser.
Acta Crystallogr.,Sect.F, 75, 2019
4W6T
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BU of 4w6t by Molmil
Crystal Structure of Full-Length Split GFP Mutant E115H/T118H With Copper Mediated Crystal Contacts, P 43 21 2 Space Group
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, COPPER (II) ION, ...
Authors:Leibly, D.J, Waldo, G.S, Yeates, T.O.
Deposit date:2014-08-20
Release date:2015-02-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.604 Å)
Cite:A Suite of Engineered GFP Molecules for Oligomeric Scaffolding.
Structure, 23, 2015
4W76
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BU of 4w76 by Molmil
Crystal Structure of Full-Length Split GFP Mutant D21H/K26C Disulfide and Metal-Mediated Dimer, P 21 21 21 Space Group, Form 2
Descriptor: COPPER (II) ION, fluorescent protein D21H/K26C
Authors:Leibly, D.J, Waldo, G.S, Yeates, T.O.
Deposit date:2014-08-21
Release date:2015-02-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A Suite of Engineered GFP Molecules for Oligomeric Scaffolding.
Structure, 23, 2015
4W7E
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BU of 4w7e by Molmil
Crystal Structure of Full-Length Split GFP Mutant E124H/K126H With Copper Mediated Crystal Contacts, P 41 21 2 Space Group
Descriptor: COPPER (II) ION, IMIDAZOLE, fluorescent protein D21H/K26H
Authors:Leibly, D.J, Waldo, G.S, Yeates, T.O.
Deposit date:2014-08-21
Release date:2015-02-25
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.592 Å)
Cite:A Suite of Engineered GFP Molecules for Oligomeric Scaffolding.
Structure, 23, 2015
4W7R
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BU of 4w7r by Molmil
Crystal Structure of Full-Length Split GFP Mutant E124H/K126H Copper Mediated Dimer, P 21 Space Group
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, fluorescent protein E124H/K126C
Authors:Leibly, D.J, Waldo, G.S, Yeates, T.O.
Deposit date:2014-08-22
Release date:2015-03-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Suite of Engineered GFP Molecules for Oligomeric Scaffolding.
Structure, 23, 2015
4W6N
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BU of 4w6n by Molmil
Crystal Structure of Full-Length Split GFP Mutant D117C Disulfide Dimer, C 1 2 1 Space Group
Descriptor: fluorescent protein D117C
Authors:Leibly, D.J, Waldo, G.S, Yeates, T.O.
Deposit date:2014-08-20
Release date:2015-02-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.375 Å)
Cite:A Suite of Engineered GFP Molecules for Oligomeric Scaffolding.
Structure, 23, 2015
4W72
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BU of 4w72 by Molmil
Crystal Structure of Full-Length Split GFP Mutant E115C/T118H Disulfide Dimer With Copper Mediated Crystal Contacts, P 21 21 21, Form 1
Descriptor: COPPER (II) ION, fluorescent protein E115C/T118H
Authors:Leibly, D.J, Waldo, G.S, Yeates, T.O.
Deposit date:2014-08-21
Release date:2015-02-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Suite of Engineered GFP Molecules for Oligomeric Scaffolding.
Structure, 23, 2015
4W7C
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BU of 4w7c by Molmil
Crystal Structure of Full-Length Split GFP Mutant D21H/K26C Disulfide and Metal-Mediated Dimer, C 2 Space Group
Descriptor: COPPER (II) ION, fluorescent protein D21H/K26C
Authors:Leibly, D.J, Waldo, G.S, Yeates, T.O.
Deposit date:2014-08-21
Release date:2015-03-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Suite of Engineered GFP Molecules for Oligomeric Scaffolding.
Structure, 23, 2015
4W7X
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BU of 4w7x by Molmil
Crystal Structure of Full-Length Split GFP Mutant E115C Disulfide Dimer, P 1 21 1 Space Group
Descriptor: fluorescent protein E115C/T118H
Authors:Leibly, D.J, Waldo, G.S, Yeates, T.O.
Deposit date:2014-08-22
Release date:2015-03-11
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A Suite of Engineered GFP Molecules for Oligomeric Scaffolding.
Structure, 23, 2015
3OXH
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BU of 3oxh by Molmil
Mycobacterium tuberculosis kinase inhibitor homolog RV0577
Descriptor: CHLORIDE ION, PARA-MERCURY-BENZENESULFONIC ACID, RV0577 PROTEIN, ...
Authors:Echols, N, Flynn, E.M, Stephenson, S, Ng, H.-L, Alber, T, TB Structural Genomics Consortium (TBSGC)
Deposit date:2010-09-21
Release date:2011-10-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and Biophysical Characterization of the Mycobacterium tuberculosis Protein Rv0577, a Protein Associated with Neutral Red Staining of Virulent Tuberculosis Strains and Homologue of the Streptomyces coelicolor Protein KbpA.
Biochemistry, 2017
8PHV
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BU of 8phv by Molmil
Structure of Human selenomethionylated Cdc123 bound to domain 3 of eIF2 gamma
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cell division cycle protein 123 homolog, Eukaryotic translation initiation factor 2 subunit 3
Authors:Schmitt, E, Mechulam, Y, Cardenal Peralta, C, Fagart, J, Seufert, W.
Deposit date:2023-06-20
Release date:2023-08-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Binding of human Cdc123 to eIF2 gamma.
J.Struct.Biol., 215, 2023
8PFF
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BU of 8pff by Molmil
Galectin-3C in complex with a triazolesulfone derivative
Descriptor: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-(phenylsulfonyl)-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-oxane-3,4,5-triol, Galectin-3, MAGNESIUM ION, ...
Authors:Kumar, R, Mahanti, M, Nilsson, U.J, Logan, D.T.
Deposit date:2023-06-15
Release date:2023-11-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Ligand Sulfur Oxidation State Progressively Alters Galectin-3-Ligand Complex Conformations To Induce Affinity-Influencing Hydrogen Bonds.
J.Med.Chem., 66, 2023
8PKU
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BU of 8pku by Molmil
Kelch domain of KEAP1 in complex with ortho-dimethylbenzene linked cyclic peptide 3 (ortho-WRCDEETGEC).
Descriptor: (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Braun, M.B, Bischof, L, Hartmann, M.D.
Deposit date:2023-06-27
Release date:2023-11-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders.
J.Chem.Inf.Model., 63, 2023
8P0E
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BU of 8p0e by Molmil
Rubella virus p150 macro domain in complex with ADP-ribose
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural polyprotein p200
Authors:Stoll, G.A, Modis, Y.
Deposit date:2023-05-10
Release date:2024-01-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Crystal structure and biochemical activity of the macrodomain from rubella virus p150.
J.Virol., 98, 2024
5ZYR
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BU of 5zyr by Molmil
Crystal structure of the reductase (C1) component of p-hydroxyphenylacetate 3-hydroxylase (HPAH) from Acinetobacter baumannii
Descriptor: ACETATE ION, FLAVIN MONONUCLEOTIDE, p-hydroxyphenylacetate 3-hydroxylase, ...
Authors:Oonanant, W, Phongsak, T, Sucharitakul, J, Chaiyen, P, Yuvaniyama, J.
Deposit date:2018-05-28
Release date:2019-06-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.20001316 Å)
Cite:Crystal structure of the reductase (C1) component of p-hydroxyphenylacetate 3-hydroxylase (HPAH) from Acinetobacter baumannii
To Be Published
7ZGE
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BU of 7zge by Molmil
BrxA, BREX phage defence protein
Descriptor: BrxA, BREX phage defence protein
Authors:Picton, D.M, Beck, I.N, Blower, T.R.
Deposit date:2022-04-03
Release date:2022-06-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal structure of the anti-CRISPR repressor Aca2.
J.Struct.Biol., 213, 2021
7ZIE
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BU of 7zie by Molmil
Gcf1p, multimerizes and bridges the mitochondrial DNA from Candida albicans by a specific mechanism.
Descriptor: 20-mer DNA, GLYCEROL, Gcf1p
Authors:Tarres-Sole, A, Sola, M.
Deposit date:2022-04-07
Release date:2023-06-14
Last modified:2024-06-19
Method:SOLUTION SCATTERING (2.9 Å), X-RAY DIFFRACTION
Cite:Gcf1p tetramerizes upon DNA binding, revealing a novel compaction method for mitochondrial DNA in Candida albicans.
Nucleic Acids Res., 2023
7ZJU
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BU of 7zju by Molmil
Structure of human USPL1 in covalent complex with SUMO3-2Br probe
Descriptor: 2-bromanylethanamine, CALCIUM ION, CHLORIDE ION, ...
Authors:Zhao, Z, Gersch, M.
Deposit date:2022-04-12
Release date:2023-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Native Semisynthesis of Isopeptide-Linked Substrates for Specificity Analysis of Deubiquitinases and Ubl Proteases.
J.Am.Chem.Soc., 145, 2023
8A7N
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BU of 8a7n by Molmil
Crystal Structure of human Brachyury G177D variant in complex with (S)-N-(3-aminopropyl)-3-((1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl)amino)-N-methylbenzamide (CF-2-125)
Descriptor: N-(3-azanylpropyl)-3-[[(3S)-1-(2-fluorophenyl)-2-oxidanylidene-pyrrolidin-3-yl]amino]-N-methyl-benzamide, PHOSPHATE ION, T-box transcription factor T
Authors:Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O.
Deposit date:2022-06-21
Release date:2022-10-05
Last modified:2025-02-26
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into human brachyury DNA recognition and discovery of progressible binders for cancer therapy.
Nat Commun, 16, 2025
8AKK
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BU of 8akk by Molmil
Acyl-enzyme complex of imipenem bound to deacylation mutant KPC-2 (E166Q)
Descriptor: (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2022-07-29
Release date:2023-03-08
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase.
J.Am.Chem.Soc., 145, 2023
8AKJ
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BU of 8akj by Molmil
Acyl-enzyme complex of cephalothin bound to deacylation mutant KPC-2 (E166Q)
Descriptor: 5-METHYLENE-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2022-07-29
Release date:2023-03-08
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase.
J.Am.Chem.Soc., 145, 2023
7ZBB
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BU of 7zbb by Molmil
HaloTag with TRaQ-G-ctrl ligand
Descriptor: (E)-[7-azanyl-10-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium, CHLORIDE ION, GLYCEROL, ...
Authors:Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K.
Deposit date:2022-03-23
Release date:2023-02-01
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A locally activatable sensor for robust quantification of organellar glutathione.
Nat.Chem., 15, 2023
7ZBD
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BU of 7zbd by Molmil
HaloTag with TRaQ-G ligand
Descriptor: (10R)-7-azanyl-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-2'-cyano-5,5-dimethyl-3-(methylamino)-1'-oxidanylidene-spiro[benzo[b][1]benzosiline-10,3'-isoindole]-5'-carboxamide, CHLORIDE ION, GLYCEROL, ...
Authors:Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K.
Deposit date:2022-03-23
Release date:2023-02-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:A locally activatable sensor for robust quantification of organellar glutathione.
Nat.Chem., 15, 2023
7ZBA
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BU of 7zba by Molmil
HaloTag with Me-TRaQ-G ligand
Descriptor: 4-(7-azanyl-5,5-dimethyl-3-methylimino-benzo[b][1]benzosilin-10-yl)-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-3-methyl-benzamide, CHLORIDE ION, GLYCEROL, ...
Authors:Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K.
Deposit date:2022-03-23
Release date:2023-02-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:A locally activatable sensor for robust quantification of organellar glutathione.
Nat.Chem., 15, 2023

238895

数据于2025-07-16公开中

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