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PDB: 22297 results

6WX8
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BU of 6wx8 by Molmil
SOX2 bound to Importin-alpha 3
Descriptor: Importin subunit alpha-3, SULFATE ION, Transcription factor SOX-2
Authors:Bikshapathi, J, Stewart, M, Forwood, J.K, Aragao, D, Roman, N.
Deposit date:2020-05-10
Release date:2020-10-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for nuclear import selectivity of pioneer transcription factor SOX2.
Nat Commun, 12, 2021
6MJU
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BU of 6mju by Molmil
human cGAS catalytic domain bound with the inhibitor G108
Descriptor: 1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one, Cyclic GMP-AMP synthase, ZINC ION
Authors:Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T.
Deposit date:2018-09-22
Release date:2019-05-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression.
Nat Commun, 10, 2019
6MPS
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BU of 6mps by Molmil
TagT bound to LIIa-WTA
Descriptor: 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-beta-D-mannopyranosyl]-2-deoxy-1-O-[(S)-{[(R)-{[(2Z,6Z,10Z,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-glucopyranose, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Owens, T.W, Schaefer, K, Kahne, D, Walker, S.
Deposit date:2018-10-08
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Substrate Preferences Establish the Order of Cell Wall Assembly in Staphylococcus aureus.
J. Am. Chem. Soc., 140, 2018
6WYW
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BU of 6wyw by Molmil
Crystal structure of Pseudomonas 7A Glutaminase-Asparaginase in complex with L-Asp at pH 4.5
Descriptor: ASPARTIC ACID, Glutaminase-asparaginase
Authors:Strzelczyk, P, Zhang, D, Wlodawer, A, Lubkowski, J.
Deposit date:2020-05-13
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Generalized enzymatic mechanism of catalysis by tetrameric L-asparaginases from mesophilic bacteria.
Sci Rep, 10, 2020
5BMW
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BU of 5bmw by Molmil
Crystal structure of T75V mutant of Triosephosphate isomerase from Plasmodium falciparum
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Bandyopadhyay, D, Murthy, M.R.N, Balaram, H, Balaram, P.
Deposit date:2015-05-23
Release date:2015-07-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Probing the role of highly conserved residues in triosephosphate isomerase - analysis of site specific mutants at positions 64 and 75 in the Plasmodial enzyme
Febs J., 282, 2015
5BT3
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BU of 5bt3 by Molmil
Crystal structure of EP300 bromodomain in complex with SGC-CBP30 chemical probe
Descriptor: 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, Histone acetyltransferase p300, ISOPROPYL ALCOHOL
Authors:Tallant, C, Hay, D, Krojer, T, Nunez-Alonso, G, Picaud, S, Newman, J.A, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-06-02
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Crystal structure of EP300 bromodomain in complex with a 3,5-dimethylisoxazol ligand
To Be Published
5BN8
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BU of 5bn8 by Molmil
Crystal structure of nucleotide-free human Hsp70 NBD.
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Heat shock 70 kDa protein 1A, ...
Authors:Narayanan, D, Engh, R.A.
Deposit date:2015-05-25
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Nucleotide binding to variants of the HSP70-NBD.
To Be Published
5BUX
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BU of 5bux by Molmil
Crystal Structure of 3-hydroxyacyl-ACP dehydratase (FabZ) from Yersinia pestis with glycerol bound
Descriptor: 3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ, GLYCEROL, THIOCYANATE ION
Authors:McGillick, B, Kumaran, D, Swaminathan, S.
Deposit date:2015-06-04
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of 3-hydroxyacyl-ACP dehydratase (FabZ) from Yersinia pestis with glycerol bound
To be Published
5B5Z
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BU of 5b5z by Molmil
Crystal structure of PtLCIB4 H88A mutant, a homolog of the limiting CO2-inducible protein LCIB
Descriptor: PtLCIB4 H88A mutant, ZINC ION
Authors:Jin, S, Sun, J, Wunder, T, Tang, D, Mueller-Caja, O.M, Gao, Y.
Deposit date:2016-05-24
Release date:2016-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural insights into the LCIB protein family reveals a new group of beta-carbonic anhydrases
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
6WCJ
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BU of 6wcj by Molmil
Asymmetric vertex of the clathrin minicoat cage
Descriptor: Clathrin heavy chain 1, Clathrin light chain B
Authors:Paraan, M, Mendez, J, Sharum, S, Kurtin, D, He, H, Stagg, S.
Deposit date:2020-03-30
Release date:2020-08-19
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (6.3 Å)
Cite:The structures of natively assembled clathrin-coated vesicles.
Sci Adv, 6, 2020
5BU4
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BU of 5bu4 by Molmil
RIBONUCLEASE T1 COMPLEX WITH 2'GMP
Descriptor: CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, PROTEIN (RIBONUCLEASE T1)
Authors:Loris, R, Devos, S, Langhorst, U, Decanniere, K, Bouckaert, J, Maes, D, Transue, T.R, Steyaert, J.
Deposit date:1998-09-15
Release date:1998-09-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Conserved water molecules in a large family of microbial ribonucleases.
Proteins, 36, 1999
5BUU
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BU of 5buu by Molmil
Crystal structure of the GluA2 ligand-binding domain (L483Y-N754S) in complex with glutamate and BPAM-321 at 2.07 A resolution
Descriptor: (3R)-7-chloro-2,3,4-trimethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, 1,2-ETHANEDIOL, GLUTAMIC ACID, ...
Authors:Larsen, A.P, Tapken, D, Frydenvang, K, Kastrup, J.S.
Deposit date:2015-06-04
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Synthesis and Pharmacology of Mono-, Di-, and Trialkyl-Substituted 7-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides Combined with X-ray Structure Analysis to Understand the Unexpected Structure-Activity Relationship at AMPA Receptors.
Acs Chem Neurosci, 7, 2016
2XBI
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BU of 2xbi by Molmil
Crystal structure of Schistosoma mansoni Thioredoxin at 1.6 Angstrom
Descriptor: GLYCEROL, THIOREDOXIN
Authors:Boumis, G, Miele, A.E, Dimastrogiovanni, D, Angelucci, F, Bellelli, A.
Deposit date:2010-04-12
Release date:2010-07-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and Functional Characterization of Schistosoma Mansoni Thioredoxin.
Protein Sci., 20, 2011
5BN9
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BU of 5bn9 by Molmil
Crystal structure of ADP bound human Hsp70 NBD mutant R272K.
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Narayanan, D, Engh, R.A.
Deposit date:2015-05-25
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.689 Å)
Cite:Nucleotide binding to variants of the HSP70-NBD.
To Be Published
5BNH
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BU of 5bnh by Molmil
Crystal structure of the HLTF HIRAN domain with a ssDNA fragment
Descriptor: ACETATE ION, DNA (5'-D(*(GD)P*GP*TP*G)-3'), DNA (5'-D(*(TD)P*TP*G)-3'), ...
Authors:Neculai, D, Walker, J.R, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Dhe-Paganon, S.
Deposit date:2015-05-26
Release date:2016-05-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Co-crystal structure of the HLTF HIRAN domain with a ssDNA fragment
To Be Published
1Q62
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BU of 1q62 by Molmil
PKA double mutant model of PKB
Descriptor: cAMP-dependent protein kinase inhibitor, alpha form, cAMP-dependent protein kinase, ...
Authors:Gassel, M, Breitenlechner, C.B, Rueger, P, Jucknischke, U, Schneider, T, Huber, R, Bossemeyer, D, Engh, R.A.
Deposit date:2003-08-12
Release date:2003-09-30
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mutants of protein kinase A that mimic the ATP-binding site of protein kinase B (AKT)
J.Mol.Biol., 329, 2003
6WEL
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BU of 6wel by Molmil
Structure of cGMP-unbound F403V/V407A mutant TAX-4 reconstituted in lipid nanodiscs
Descriptor: 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Cyclic nucleotide-gated cation channel, ...
Authors:Zheng, X, Fu, Z, Su, D, Zhang, Y, Li, M, Pan, Y, Li, H, Li, S, Grassucci, R.A, Ren, Z, Hu, Z, Li, X, Zhou, M, Li, G, Frank, J, Yang, J.
Deposit date:2020-04-02
Release date:2020-06-03
Last modified:2020-07-22
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Mechanism of ligand activation of a eukaryotic cyclic nucleotide-gated channel.
Nat.Struct.Mol.Biol., 27, 2020
6WFL
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BU of 6wfl by Molmil
Camphor soaked P450cam D251E
Descriptor: 5-EXO-HYDROXYCAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ...
Authors:Amaya, J.A, Poulos, T.L, Batabyal, D.
Deposit date:2020-04-03
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1.
Biochemistry, 59, 2020
6WNT
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BU of 6wnt by Molmil
50S ribosomal subunit without free 5S rRNA and perturbed PTC
Descriptor: 23s-5s joint ribosomal RNA, 50S ribosomal protein L1, 50S ribosomal protein L10, ...
Authors:Loveland, A.B, Korostelev, A.A, Mankin, A.S, Huang, S, Aleksashin, N.A, Klepacki, D, Reier, K, Kefi, A, Szal, A, Remme, J, Jaeger, L, Vazquez-Laslop, N.
Deposit date:2020-04-23
Release date:2020-06-24
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Ribosome engineering reveals the importance of 5S rRNA autonomy for ribosome assembly.
Nat Commun, 11, 2020
2XD5
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BU of 2xd5 by Molmil
Structural insights into the catalytic mechanism and the role of Streptococcus pneumoniae PBP1b
Descriptor: CHLORIDE ION, N-BENZOYL-D-ALANINE, PENICILLIN-BINDING PROTEIN 1B, ...
Authors:Macheboeuf, P, Lemaire, D, Jamin, M, Dideberg, O, Dessen, A.
Deposit date:2010-04-29
Release date:2010-05-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insights Into the Catalytic Mechanism and the Role of Streptococcus Pneumoniae Pbp1B
To be Published
5CPS
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BU of 5cps by Molmil
Disproportionating enzyme 1 from Arabidopsis - maltotriose soak
Descriptor: 1,2-ETHANEDIOL, 4-alpha-glucanotransferase DPE1, chloroplastic/amyloplastic, ...
Authors:O'Neill, E.C, Stevenson, C.E.M, Tantanarat, K, Latousakis, D, Donaldson, M.I, Rejzek, M, Limpaseni, T, Smith, A.M, Field, R.A, Lawson, D.M.
Deposit date:2015-07-21
Release date:2015-11-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Dissection of the Maltodextrin Disproportionation Cycle of the Arabidopsis Plastidial Disproportionating Enzyme 1 (DPE1).
J.Biol.Chem., 290, 2015
6LNU
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BU of 6lnu by Molmil
Cryo-EM structure of immature Zika virus
Descriptor: Genome polyprotein
Authors:Tan, T.Y, Fibriansah, G, Kostyuchenko, V.A, Ng, T.S, Lim, X.X, Lim, X.N, Shi, J, Morais, M.C, Corti, D, Lok, S.M.
Deposit date:2020-01-02
Release date:2020-02-26
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Capsid protein structure in Zika virus reveals the flavivirus assembly process.
Nat Commun, 11, 2020
2XPD
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BU of 2xpd by Molmil
Reduced Thiol peroxidase (Tpx) from yersinia Pseudotuberculosis
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, THIOL PEROXIDASE
Authors:Gabrielsen, M, Zetterstrom, C.E, Wang, D, Elofsson, M, Roe, A.J.
Deposit date:2010-08-26
Release date:2011-06-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Characterisation of Tpx from Yersinia Pseudotuberculosis Reveals Insights Into the Binding of Salicylidene Acylhydrazide Compounds.
Plos One, 7, 2012
6WYX
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BU of 6wyx by Molmil
Crystal structure of Pseudomonas 7A Glutaminase-Asparaginase in complex with L-Asp at pH 5.0
Descriptor: ASPARTIC ACID, GLYCEROL, Glutaminase-asparaginase
Authors:Strzelczyk, P, Zhang, D, Wlodawer, A, Lubkowski, J.
Deposit date:2020-05-13
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Generalized enzymatic mechanism of catalysis by tetrameric L-asparaginases from mesophilic bacteria.
Sci Rep, 10, 2020
6MBN
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BU of 6mbn by Molmil
LptB E163Q in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, Lipopolysaccharide export system ATP-binding protein LptB, ...
Authors:Owens, T.W, Ruiz, N, Kahne, D.
Deposit date:2018-08-30
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.957 Å)
Cite:Combining Mutations That Inhibit Two Distinct Steps of the ATP Hydrolysis Cycle Restores Wild-Type Function in the Lipopolysaccharide Transporter and Shows that ATP Binding Triggers Transport.
Mbio, 10, 2019

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