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PDB: 45910 results

6ILR
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BU of 6ilr by Molmil
Structure of Arabidopsis thaliana Ribokinase in unligand form
Descriptor: Ribokinase, SODIUM ION, TETRAETHYLENE GLYCOL
Authors:Kang, P, Oh, J, Rhee, S.
Deposit date:2018-10-19
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.972 Å)
Cite:Crystal structure and mutational analyses of ribokinase from Arabidopsis thaliana.
J. Struct. Biol., 206, 2019
8HW9
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BU of 8hw9 by Molmil
Solution structure of ubiquitin-like domain (UBL) of human ZFAND1
Descriptor: AN1-type zinc finger protein 1
Authors:Lai, C.H, Ko, K.T, Fan, P.J, Yu, T.A, Chang, C.F, Hsu, S.T.D.
Deposit date:2022-12-29
Release date:2024-01-31
Last modified:2024-08-14
Method:SOLUTION NMR
Cite:Structural insight into the ZFAND1-p97 interaction involved in stress granule clearance.
J.Biol.Chem., 300, 2024
8ESS
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BU of 8ess by Molmil
Myoglobin variant Mb-cIII complex
Descriptor: Myoglobin, SULFATE ION, [2,18-bis(2-carboxyethyl)-7,12-diethenyl-3,8,13,17-tetramethyl-21-(2-oxo-3-phenylpropyl)porphyrin-21-iumato(2-)-kappa~3~N~22~,N~23~,N~24~]iron(2+)
Authors:Bacik, J.P, Fasan, R, Ando, N.
Deposit date:2022-10-14
Release date:2023-12-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Mechanistic manifold in a hemoprotein-catalyzed cyclopropanation reaction with diazoketone.
Nat Commun, 14, 2023
8ESU
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BU of 8esu by Molmil
Myoglobin variant Mb-imi complex
Descriptor: IMIDAZOLE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Bacik, J.P, Fasan, R, Ando, N.
Deposit date:2022-10-14
Release date:2023-12-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Mechanistic manifold in a hemoprotein-catalyzed cyclopropanation reaction with diazoketone.
Nat Commun, 14, 2023
3J5M
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BU of 3j5m by Molmil
Cryo-EM structure of the BG505 SOSIP.664 HIV-1 Env trimer with 3 PGV04 Fabs
Descriptor: BG505 SOSIP gp120, BG505 SOSIP gp41, PGV04 heavy chain, ...
Authors:Lyumkis, D, Julien, J.-P, Wilson, I.A, Ward, A.B.
Deposit date:2013-10-26
Release date:2013-11-13
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:Cryo-EM structure of a fully glycosylated soluble cleaved HIV-1 envelope trimer.
Science, 342, 2013
8F78
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BU of 8f78 by Molmil
Compound 1 bound to procaspase-6
Descriptor: 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol, CHLORIDE ION, Procaspase-6
Authors:Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R.
Deposit date:2022-11-18
Release date:2023-12-13
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
7YW9
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BU of 7yw9 by Molmil
Crystal structure of the triple mutant CmnC-L136Q,S138G,D249Y in complex with alpha-KG
Descriptor: ACETATE ION, CmnC, D-ARGININE, ...
Authors:Huang, S.J, Hsiao, Y.H, Lin, E.C, Hsiao, P.Y, Chang, C.Y.
Deposit date:2022-08-22
Release date:2023-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structure of the alpha-ketoglutarate-dependent non-heme iron oxygenase CmnC in capreomycin biosynthesis and its engineering to catalyze hydroxylation of the substrate enantiomer.
Front Chem, 10, 2022
6RM8
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BU of 6rm8 by Molmil
Crystal structure of the DEAH-box ATPase Prp2 in complex with Spp2 and ADP
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Hamann, F, Neumann, P, Ficner, R.
Deposit date:2019-05-06
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural analysis of the intrinsically disordered splicing factor Spp2 and its binding to the DEAH-box ATPase Prp2.
Proc.Natl.Acad.Sci.USA, 117, 2020
2SRT
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BU of 2srt by Molmil
CATALYTIC DOMAIN OF HUMAN STROMELYSIN-1 AT PH 5.5 AND 40OC COMPLEXED WITH INHIBITOR
Descriptor: N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHENYLETHYL)GLYCYL-L-ARGININE-N-PHENYLAMIDE, STROMELYSIN-1, ZINC ION
Authors:Gooley, P.R, O'Connell, J.F.
Deposit date:1995-03-22
Release date:1995-07-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The NMR structure of the inhibited catalytic domain of human stromelysin-1.
Nat.Struct.Biol., 1, 1994
8EYP
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BU of 8eyp by Molmil
Joint X-ray/neutron structure of Salmonella typhimurium tryptophan synthase internal aldimine from microgravity-grown crystal
Descriptor: SODIUM ION, Tryptophan synthase alpha chain, Tryptophan synthase beta chain
Authors:Drago, V.N, Kovalevsky, A, Blakeley, M.P, Forsyth, V.T, Mueser, T.C.
Deposit date:2022-10-28
Release date:2024-02-14
Last modified:2024-05-08
Method:NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
Cite:Neutron diffraction from a microgravity-grown crystal reveals the active site hydrogens of the internal aldimine form of tryptophan synthase.
Cell Rep Phys Sci, 5, 2024
5EYX
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BU of 5eyx by Molmil
Monoclinic Form of Centrolobium tomentosum seed lectin (CTL) complexed with Man1-3Man-OMe.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Centrolobium tomentosum lectin, ...
Authors:Almeida, A.C, Osterne, V.J.S, Santiago, M.Q, Pinto-Junior, V.R, Silva-Filho, J.C, Lossio, C.F, Almeida, R.P.H, Teixeira, C.S, Delatorre, P, Rocha, B.A.M, Santiago, K.S, Cavada, B.S.
Deposit date:2015-11-25
Release date:2016-03-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural analysis of Centrolobium tomentosum seed lectin with inflammatory activity.
Arch.Biochem.Biophys., 596, 2016
6ED9
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BU of 6ed9 by Molmil
NMR structure for Sp1 transcription factor duplex 5'-d(TGGGCGGGA)
Descriptor: DNA (5'-D(*TP*CP*CP*CP*GP*CP*CP*CP*A)-3'), DNA (5'-D(*TP*GP*GP*GP*CP*GP*GP*GP*A)-3')
Authors:Davis, E.V, Hennig, M, Arya, D.P.
Deposit date:2018-08-09
Release date:2019-08-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:An NMR Structure Determination and Analysis of Four Sp1 Consensus Sequences
To Be Published
6S7Q
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BU of 6s7q by Molmil
Crystal structure of ergothioneine degrading enzyme Ergothionase from Treponema denticola in complex with desmethyl-ergothioneine sulfonic acid
Descriptor: (2~{S})-2-(dimethylamino)-3-(2-sulfo-1~{H}-imidazol-4-yl)propanoic acid, ergothionase
Authors:Leisinger, F, Seebeck, F.P.
Deposit date:2019-07-05
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure and Mechanism of Ergothionase from Treponema denticola.
Chemistry, 25, 2019
6RSC
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BU of 6rsc by Molmil
Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class
Descriptor: 1-[4-(cyanomethyl)-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide, Tyrosine-protein kinase JAK1
Authors:Brown, D.G, Lupardus, P.J.
Deposit date:2019-05-21
Release date:2020-07-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class
To Be Published
1JAB
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BU of 1jab by Molmil
TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 T18S
Descriptor: PROTEIN (ANTIFREEZE PROTEIN TYPE III)
Authors:Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z.
Deposit date:1999-01-24
Release date:1999-04-29
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Quantitative and qualitative analysis of type III antifreeze protein structure and function.
J.Biol.Chem., 274, 1999
8TDX
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BU of 8tdx by Molmil
TRNM-b.01 in complex with HIV Env fusion peptide
Descriptor: Env Fusion Peptide, TRNM-b.01 Fab Heavy Chain, TRNM-b.01 Fab Light Chain
Authors:Olia, A.S, Kwong, P.D.
Deposit date:2023-07-05
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Broad and potent HIV-1 neutralization in fusion peptide-primed SHIV-boosted macaques
To Be Published
4Q78
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BU of 4q78 by Molmil
Structure-assisted design of carborane-based inhibitors of carbonic anhydrase
Descriptor: 1-(sulfamoylamino)methyl-1,2-dicarba-closo-dodecaborane, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
Authors:Mader, P, Brynda, J, Rezacova, P.
Deposit date:2014-04-24
Release date:2015-03-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1 Å)
Cite:Carborane-based carbonic anhydrase inhibitors: insight into CAII/CAIX specificity from a high-resolution crystal structure, modeling, and quantum chemical calculations.
Biomed Res Int, 2014, 2014
8TJP
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BU of 8tjp by Molmil
KS-AT core of 6-deoxyerythronolide B synthase (DEBS) Module 3 crosslinked with its elongation ACP partner
Descriptor: EryAII
Authors:Cogan, D.P, Soohoo, A.M, Chen, M, Brodsky, K.L, Liu, Y, Khosla, C.
Deposit date:2023-07-23
Release date:2024-07-24
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Structural Basis for Intermodular Communication in Assembly-Line Polyketide Biosynthesis
To Be Published
8IM6
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BU of 8im6 by Molmil
Crystal structure of HCoV 229E main protease in complex with PF07304814
Descriptor: 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
Authors:Zhou, Y.R, Zeng, P, Zhang, J, Li, J.
Deposit date:2023-03-06
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural basis of main proteases of HCoV-229E bound to inhibitor PF-07304814 and PF-07321332.
Biochem.Biophys.Res.Commun., 657, 2023
4E7V
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BU of 4e7v by Molmil
The structure of R6 bovine insulin
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Harris, P, Frankaer, C.G, Knudsen, M.V.
Deposit date:2012-03-19
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structures of T(6), T(3)R(3) and R(6) bovine insulin: combining X-ray diffraction and absorption spectroscopy.
Acta Crystallogr.,Sect.D, 68, 2012
6EEI
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BU of 6eei by Molmil
Crystal structure of Arabidopsis thaliana phenylacetaldehyde synthase in complex with L-phenylalanine
Descriptor: PHENYLALANINE, SULFATE ION, Tyrosine decarboxylase 1
Authors:Torrens-Spence, M.P, Chiang, Y, Smith, T, Vicent, M.A, Wang, Y, Weng, J.K.
Deposit date:2018-08-14
Release date:2018-09-19
Last modified:2020-06-03
Method:X-RAY DIFFRACTION (1.99001348 Å)
Cite:Structural basis for divergent and convergent evolution of catalytic machineries in plant aromatic amino acid decarboxylase proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6RVD
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BU of 6rvd by Molmil
Revised cryo-EM structure of the human 2:1 Ptch1-Shh complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:El Omari, K, Rudolf, A.F, Kowatsch, C, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C.
Deposit date:2019-05-31
Release date:2019-10-02
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism.
Nat.Chem.Biol., 15, 2019
7Z3F
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BU of 7z3f by Molmil
Crystal structure of the cupredoxin AcoP from Acidithiobacillus ferrooxidans, oxidized form
Descriptor: ACETATE ION, AcoP, CHLORIDE ION, ...
Authors:Leone, P, Sciara, G, Ilbert, M.
Deposit date:2022-03-02
Release date:2023-09-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Beyond the coupled distortion model: structural analysis of the single domain cupredoxin AcoP, a green mononuclear copper centre with original features.
Dalton Trans, 53, 2024
4M7Z
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BU of 4m7z by Molmil
Unliganded 1 crystal structure of S25-26 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Haji-Ghassemi, O, Evans, S.V, Muller-Loennies, S, Saldova, R, Muniyappa, M, Brade, L, Rudd, P.M, Harvey, D.J, Kosma, P, Brade, H.
Deposit date:2013-08-12
Release date:2014-04-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Groove-type Recognition of Chlamydiaceae-specific Lipopolysaccharide Antigen by a Family of Antibodies Possessing an Unusual Variable Heavy Chain N-Linked Glycan.
J.Biol.Chem., 289, 2014
3K2L
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BU of 3k2l by Molmil
Crystal Structure of dual-specificity tyrosine phosphorylation regulated kinase 2 (DYRK2)
Descriptor: CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 2, SODIUM ION, ...
Authors:Filippakopoulos, P, Myrianthopoulos, V, Soundararajan, M, Krojer, T, Hapka, E, Fedorov, O, Berridge, G, Wang, J, Shrestha, L, Pike, A.C.W, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Mikros, E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2009-09-30
Release date:2009-10-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structures of Down Syndrome Kinases, DYRKs, Reveal Mechanisms of Kinase Activation and Substrate Recognition.
Structure, 21, 2013

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