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8PUI
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BU of 8pui by Molmil
human PHOX2B C-terminal domain including the polyA fragment at 298K
Descriptor: Paired mesoderm homeobox protein 2B
Authors:Anton, R, Trevino, M.A, Pantoja-Uceda, D, Felix, S, Babu, M, Cabrita, E.J, Zweckstetter, M, Tinnefeld, P, Vera, A.M, Oroz, J.
Deposit date:2023-07-17
Release date:2024-03-13
Method:SOLUTION NMR
Cite:Alternative low-populated conformations prompt phase transitions in polyalanine repeat expansions.
Nat Commun, 15, 2024
8PTL
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BU of 8ptl by Molmil
human PHOX2B C-terminal domain including the polyA fragment at 278K
Descriptor: Paired mesoderm homeobox protein 2B
Authors:Anton, R, Trevino, M.A, Pantoja-Uceda, D, Felix, S, Babu, M, Cabrita, E.J, Zweckstetter, M, Tinnefeld, P, Vera, A.M, Oroz, J.
Deposit date:2023-07-14
Release date:2024-03-13
Method:SOLUTION NMR
Cite:Alternative low-populated conformations prompt phase transitions in polyalanine repeat expansions.
Nat Commun, 15, 2024
4EFR
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BU of 4efr by Molmil
Bombyx mori lipoprotein 7 (crystal form II) at 2.50 A resolution
Descriptor: 30kDa protein, THIOCYANATE ION
Authors:Pietrzyk, A.J, Panjikar, S, Bujacz, A, Mueller-Dieckmann, J, Jaskolski, M, Bujacz, G.
Deposit date:2012-03-30
Release date:2012-08-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:High-resolution structure of Bombyx mori lipoprotein 7: crystallographic determination of the identity of the protein and its potential role in detoxification.
Acta Crystallogr.,Sect.D, 68, 2012
8AR7
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BU of 8ar7 by Molmil
Bovine glutamate dehydrogenase in ternary complex with the allosteric activators ADP and leucine
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Glutamate dehydrogenase (NAD(P)(+)), LEUCINE, ...
Authors:Aleshin, V.A, Bellinzoni, M.
Deposit date:2022-08-15
Release date:2022-10-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.448 Å)
Cite:Structural Basis for the Binding of Allosteric Activators Leucine and ADP to Mammalian Glutamate Dehydrogenase.
Int J Mol Sci, 23, 2022
2HPQ
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BU of 2hpq by Molmil
Structures of the noncovalent complexes of human and bovine prothrombin fragment 2 with human ppack-thrombin
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-prolinamide, ...
Authors:Tulinsky, A, Padmanabhan, K.
Deposit date:1993-04-28
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structures of the noncovalent complexes of human and bovine prothrombin fragment 2 with human PPACK-thrombin.
Biochemistry, 32, 1993
2HPP
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BU of 2hpp by Molmil
Structures of the noncovalent complexes of human and bovine prothrombin fragment 2 with human ppack-thrombin
Descriptor: ALPHA-THROMBIN HEAVY CHAIN, ALPHA-THROMBIN LIGHT CHAIN, D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-prolinamide, ...
Authors:Tulinsky, A, Padmanabhan, K.
Deposit date:1993-04-28
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structures of the noncovalent complexes of human and bovine prothrombin fragment 2 with human PPACK-thrombin.
Biochemistry, 32, 1993
8AB3
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BU of 8ab3 by Molmil
Crystal Structure of the Lactate Dehydrogenase of Cyanobacterium Aponinum in complex with oxamate, NADH and FBP.
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1,6-di-O-phosphono-beta-D-fructofuranose, L-lactate dehydrogenase, ...
Authors:Robin, A.Y, Girard, E, Madern, D.
Deposit date:2022-07-04
Release date:2022-07-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.616 Å)
Cite:Deciphering Evolutionary Trajectories of Lactate Dehydrogenases Provides New Insights into Allostery.
Mol.Biol.Evol., 40, 2023
4EQK
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BU of 4eqk by Molmil
Crystal structure of the cap-binding domain of polymerase basic protein 2 from influenza virus A/Hong Kong/1/68 (h3n2) with bound m7GTP
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, NITRATE ION, Polymerase basic protein 2
Authors:Meng, G, Liu, Y, Zheng, X.
Deposit date:2012-04-19
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and functional characterization of K339T substitution identified in the PB2 subunit cap-binding pocket of influenza A virus
J.Biol.Chem., 288, 2013
4ENF
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BU of 4enf by Molmil
Crystal structure of the cap-binding domain of polymerase basic protein 2 from influenza virus A/Puerto Rico/8/34(h1n1)
Descriptor: 1,4-BUTANEDIOL, NITRATE ION, Polymerase basic protein 2
Authors:Meng, G, Liu, Y, Zheng, X.
Deposit date:2012-04-13
Release date:2013-03-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Structural and functional characterization of K339T substitution identified in the PB2 subunit cap-binding pocket of influenza A virus
J.Biol.Chem., 288, 2013
4CFZ
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BU of 4cfz by Molmil
SAVINASE CRYSTAL STRUCTURES FOR COMBINED SINGLE CRYSTAL DIFFRACTION AND POWDER DIFFRACTION ANALYSIS
Descriptor: CALCIUM ION, SODIUM ION, SUBTILISIN SAVINASE, ...
Authors:Frankaer, C.G, Moroz, O.V, Turkenburg, J.P, Aspmo, S.I, Thymark, M, Friis, E.P, Stahla, K, Nielsen, J.E, Wilson, K.S, Harris, P.
Deposit date:2013-11-19
Release date:2014-04-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Analysis of an Industrial Production Suspension of Bacillus Lentus Subtilisin Crystals by Powder Diffraction: A Powerful Quality-Control Tool.
Acta Crystallogr.,Sect.D, 70, 2014
4D1J
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BU of 4d1j by Molmil
The structure of the GH35 beta-galactosidase Bgl35A from Cellvibrio japonicas in complex with 1-Deoxygalactonojirimycin
Descriptor: (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, ACETATE ION, BETA-GALACTOSIDASE, ...
Authors:Larsbrink, J, Thompson, A.J, Lundqvist, M, Gardner, J.G, Davies, G.J, Brumer, H.
Deposit date:2014-05-02
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Complex Gene Locus Enables Xyloglucan Utilization in the Model Saprophyte Cellvibrio Japonicus.
Mol.Microbiol., 94, 2014
8B0X
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BU of 8b0x by Molmil
Translating 70S ribosome in the unrotated state (P and E, tRNAs)
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Fromm, S.A, O'Connor, K.M, Purdy, M, Bhatt, P.R, Loughran, G, Atkins, J.F, Jomaa, A, Mattei, S.
Deposit date:2022-09-08
Release date:2022-11-30
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (1.55 Å)
Cite:The translating bacterial ribosome at 1.55 angstrom resolution generated by cryo-EM imaging services.
Nat Commun, 14, 2023
4MQL
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BU of 4mql by Molmil
Crystal structure of Antigen 85C-C209S mutant
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Diacylglycerol acyltransferase/mycolyltransferase Ag85C
Authors:Favrot, L, Grzegorzewicz, A.E, Lajiness, D.H, Marvin, R.K, Boucau, J, Isailovic, D, Jackson, M, Ronning, D.R.
Deposit date:2013-09-16
Release date:2013-11-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Mechanism of inhibition of Mycobacterium tuberculosis antigen 85 by ebselen.
Nat Commun, 4, 2013
4EON
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BU of 4eon by Molmil
Thr 160 phosphorylated CDK2 H84S, Q85M, Q131E - human cyclin A3 complex with the inhibitor RO3306
Descriptor: (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2, ...
Authors:Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D.
Deposit date:2012-04-14
Release date:2013-02-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
8AHW
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BU of 8ahw by Molmil
Structure of DCS-resistant variant D322N of alanine racemase from Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, Alanine racemase, GLYCEROL
Authors:de Chiara, C, Prosser, G, Ogrodowicz, R.W, de Carvalho, L.P.S.
Deposit date:2022-07-22
Release date:2023-04-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structure of the d-Cycloserine-Resistant Variant D322N of Alanine Racemase from Mycobacterium tuberculosis .
Acs Bio Med Chem Au, 3, 2023
4EOR
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BU of 4eor by Molmil
Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with the inhibitor NU6102
Descriptor: Cyclin-A2, Cyclin-dependent kinase 2, O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE
Authors:Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D.
Deposit date:2012-04-14
Release date:2013-02-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
3NYS
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BU of 3nys by Molmil
X-ray structure of the K185A mutant of WbpE (WlbE) from pseudomonas aeruginosa in complex with PLP at 1.45 angstrom resolution
Descriptor: Aminotransferase WbpE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION
Authors:Holden, H.M, Thoden, J.B.
Deposit date:2010-07-15
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural investigation on WlaRG from Campylobacter jejuni: A sugar aminotransferase.
Protein Sci., 26, 2017
4MTT
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BU of 4mtt by Molmil
Ni- and Zn-bound GloA2 at low resolution
Descriptor: CHLORIDE ION, GLYCEROL, Lactoylglutathione lyase, ...
Authors:Bythell-Douglas, R, Bond, C.S.
Deposit date:2013-09-20
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:The crystal structure of a homodimeric Pseudomonas glyoxalase I enzyme reveals asymmetric metallation commensurate with half-of-sites activity.
Chemistry, 21, 2015
4MYQ
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BU of 4myq by Molmil
Selective Inhibition of the Catalytic Domain Of Human Phosphodiesterase 4B With A-33
Descriptor: (4-{[2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]amino}phenyl)acetic acid, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Fox III, D, Edwards, T.E.
Deposit date:2013-09-27
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the design of selective phosphodiesterase 4B inhibitors.
Cell Signal, 26, 2014
1TVR
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BU of 1tvr by Molmil
HIV-1 RT/9-CL TIBO
Descriptor: 4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE, REVERSE TRANSCRIPTASE
Authors:Das, K, Ding, J, Hsiou, Y, Arnold, E.
Deposit date:1996-04-16
Release date:1997-03-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of 8-Cl and 9-Cl TIBO complexed with wild-type HIV-1 RT and 8-Cl TIBO complexed with the Tyr181Cys HIV-1 RT drug-resistant mutant.
J.Mol.Biol., 264, 1996
1UCY
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BU of 1ucy by Molmil
THROMBIN COMPLEXED WITH FIBRINOPEPTIDE A ALPHA (RESIDUES 7-19). THREE COMPLEXES, ONE WITH EPSILON-THROMBIN AND TWO WITH ALPHA-THROMBIN
Descriptor: FIBRINOPEPTIDE A-ALPHA, THROMBIN
Authors:Martin, P, Edwards, B.
Deposit date:1996-08-30
Release date:1997-02-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Bovine thrombin complexed with an uncleavable analog of residues 7-19 of fibrinogen A alpha: geometry of the catalytic triad and interactions of the P1', P2', and P3' substrate residues.
Biochemistry, 35, 1996
4D8I
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BU of 4d8i by Molmil
High resolution structures of monomeric S. pyogenes SpeB reveals role of glycine-rich active site loop
Descriptor: ACE-AEIK-CHO ALDEHYDE (BOUND FORM), NITRATE ION, Streptopain
Authors:Gonzalez, G.E, Wolan, D.W.
Deposit date:2012-01-10
Release date:2012-06-06
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.377 Å)
Cite:Ultrahigh and High Resolution Structures and Mutational Analysis of Monomeric Streptococcus pyogenes SpeB Reveal a Functional Role for the Glycine-rich C-terminal Loop.
J.Biol.Chem., 287, 2012
8Q68
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BU of 8q68 by Molmil
Crystal structure of TEAD1-YBD in complex with irreversible compound SWTX-143
Descriptor: Transcriptional enhancer factor TEF-1, ~{N}-[(3~{S})-5-azanyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2~{H}-quinolin-3-yl]propanamide
Authors:Ciesielski, F, Spieser, S.A.H, Marchand, A, Gwaltney, S.L.
Deposit date:2023-08-11
Release date:2023-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:A Novel Irreversible TEAD Inhibitor, SWTX-143, Blocks Hippo Pathway Transcriptional Output and Causes Tumor Regression in Preclinical Mesothelioma Models.
Mol.Cancer Ther., 23, 2024
4D9R
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Inhibiting Alternative Pathway Complement Activation by Targeting the Exosite on Factor D
Descriptor: CHLORIDE ION, Complement factor D, Fab heavy chain, ...
Authors:Murray, J.M, Wiesmann, C.
Deposit date:2012-01-11
Release date:2012-02-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Inhibiting alternative pathway complement activation by targeting the factor d exosite.
J.Biol.Chem., 287, 2012
4D9Q
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Inhibiting Alternative Pathway Complement Activation by Targeting the Exosite on Factor D
Descriptor: Anti-Factor D, heavy chain, light chain, ...
Authors:Murray, J.M, Wiesmann, C.
Deposit date:2012-01-11
Release date:2012-02-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Inhibiting alternative pathway complement activation by targeting the factor d exosite.
J.Biol.Chem., 287, 2012

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