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PDB: 12479 results

4YEO
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BU of 4yeo by Molmil
Triclinic HEWL co-crystallised with cisplatin, studied at a data collection temperature of 150K - new refinement
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Cisplatin, ...
Authors:Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A.
Deposit date:2015-02-24
Release date:2015-03-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin.
Acta Crystallogr.,Sect.D, 71, 2015
2ZID
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BU of 2zid by Molmil
Crystal structure of dextran glucosidase E236Q complex with isomaltotriose
Descriptor: CALCIUM ION, Dextran glucosidase, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose
Authors:Hondoh, H, Saburi, W, Mori, H, Okuyama, M, Nakada, T, Matsuura, Y, Kimura, A.
Deposit date:2008-02-14
Release date:2008-06-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Substrate recognition mechanism of alpha-1,6-glucosidic linkage hydrolyzing enzyme, dextran glucosidase from Streptococcus mutans.
J.Mol.Biol., 378, 2008
6Q7W
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BU of 6q7w by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound 20
Descriptor: GLYCEROL, Transcriptional regulator MvfR, ~{N}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine
Authors:Witzgall, F, Blankenfeldt, W.
Deposit date:2018-12-13
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Flexible Fragment Growing Boosts Potency of Quorum-Sensing Inhibitors against Pseudomonas aeruginosa Virulence.
Chemmedchem, 15, 2020
6Q8P
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BU of 6q8p by Molmil
Structure of CLK1 with bound N-methyl-10-nitropyrido[3,4-g]quinazolin-2-amine
Descriptor: Dual specificity protein kinase CLK1, POTASSIUM ION, ~{N}-methyl-10-nitro-pyrido[3,4-g]quinazolin-2-amine
Authors:Joerger, A.C, Chatterjee, D, Schroeder, M, Tazarki, H, Zeinyeh, W, Esvan, Y.J, Khiari, J, Josselin, B, Baratte, B, Bach, S, Ruchaud, S, Anizon, F, Giraud, F, Moreau, P, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2018-12-15
Release date:2019-02-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:New pyrido[3,4-g]quinazoline derivatives as CLK1 and DYRK1A inhibitors: synthesis, biological evaluation and binding mode analysis.
Eur J Med Chem, 166, 2019
6FVU
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BU of 6fvu by Molmil
26S proteasome, s2 state
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit 4 homolog, 26S proteasome regulatory subunit 6A, ...
Authors:Eisele, M.R, Reed, R.G, Rudack, T, Schweitzer, A, Beck, F, Nagy, I, Pfeifer, G, Plitzko, J.M, Baumeister, W, Tomko, R.J, Sakata, E.
Deposit date:2018-03-05
Release date:2018-08-22
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Expanded Coverage of the 26S Proteasome Conformational Landscape Reveals Mechanisms of Peptidase Gating.
Cell Rep, 24, 2018
6PUR
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BU of 6pur by Molmil
Human TRPM2 bound to ADPR
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Transient receptor potential cation channel subfamily M member 2
Authors:Du, J, Lu, W, Huang, Y.
Deposit date:2019-07-18
Release date:2019-09-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Ligand recognition and gating mechanism through three ligand-binding sites of human TRPM2 channel.
Elife, 8, 2019
6Q05
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BU of 6q05 by Molmil
MERS-CoV S structure in complex with sialyl-lewisX
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FOLIC ACID, ...
Authors:Park, Y.J, Walls, A.C, Wang, Z, Sauer, M, Li, W, Tortorici, M.A, Bosch, B.J, DiMaio, F.D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-08-01
Release date:2019-12-11
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structures of MERS-CoV spike glycoprotein in complex with sialoside attachment receptors.
Nat.Struct.Mol.Biol., 26, 2019
6QIS
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BU of 6qis by Molmil
Crystal structure of CAG repeats with synthetic CMBL3a compound (model II)
Descriptor: CMBL3a, RNA (5'-R(*GP*CP*AP*GP*CP*AP*GP*C)-3'), SULFATE ION
Authors:Kiliszek, A, Blaszczyk, L, Rypniewski, W, Nakatani, K.
Deposit date:2019-01-21
Release date:2019-09-25
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats.
Nucleic Acids Res., 47, 2019
3FI1
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BU of 3fi1 by Molmil
NhaA dimer model
Descriptor: Na(+)/H(+) antiporter nhaA
Authors:Appel, M, Hizlan, D, Vinothkumar, K.R, Ziegler, C, Kuehlbrandt, W.
Deposit date:2008-12-10
Release date:2009-01-13
Last modified:2024-02-21
Method:ELECTRON CRYSTALLOGRAPHY (7 Å)
Cite:Conformations of NhaA, the Na/H exchanger from Escherichia coli, in the pH-activated and ion-translocating states
J.Mol.Biol., 386, 2009
6GER
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BU of 6ger by Molmil
Wheat b-amylase, a clinically relevant food allergen
Descriptor: Beta-amylase
Authors:Hofer, G, Keller, W.
Deposit date:2018-04-27
Release date:2018-12-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.00004673 Å)
Cite:Three-dimensional structure of the wheat beta-amylase Tri a 17, a clinically relevant food allergen.
Allergy, 74, 2019
4Y5T
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BU of 4y5t by Molmil
Structure of FtmOx1 apo with metal Iron
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COBALT (II) ION, FE (II) ION, ...
Authors:Yan, W, Zhang, Y.
Deposit date:2015-02-12
Release date:2015-11-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:Endoperoxide formation by an alpha-ketoglutarate-dependent mononuclear non-haem iron enzyme.
Nature, 527, 2015
8JKB
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BU of 8jkb by Molmil
Cryo-EM structure of KCTD5 in complex with Gbeta gamma subunits
Descriptor: BTB/POZ domain-containing protein KCTD5, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1
Authors:Zheng, S, Jiang, W, Wang, W, Kong, Y.
Deposit date:2023-06-01
Release date:2023-07-26
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Structural basis for the ubiquitination of G protein beta gamma subunits by KCTD5/Cullin3 E3 ligase.
Sci Adv, 9, 2023
4H4D
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BU of 4h4d by Molmil
IspH in complex with (E)-4-amino-3-methylbut-2-enyl diphosphate
Descriptor: (2E)-4-amino-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER
Authors:Span, I, Eisenreich, W, Jauch, J, Bacher, A, Groll, M.
Deposit date:2012-09-17
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structures of Fluoro, Amino, and Thiol Inhibitors Bound to the [Fe(4) S(4) ] Protein IspH.
Angew.Chem.Int.Ed.Engl., 52, 2013
1NM8
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BU of 1nm8 by Molmil
Structure of Human Carnitine Acetyltransferase: Molecular Basis for Fatty Acyl Transfer
Descriptor: Carnitine O-acetyltransferase
Authors:Wu, D, Govindasamy, L, Lian, W, Gu, Y, Kukar, T, Agbandje-McKenna, M, McKenna, R.
Deposit date:2003-01-09
Release date:2003-03-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of Human Carnitine Acetyltransferase. Molecular Basis for Fatty Acyl Transfer
J.Biol.Chem., 278, 2003
4H8E
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BU of 4h8e by Molmil
Structure of S. aureus undecaprenyl diphosphate synthase in complex with FPP and sulfate
Descriptor: FARNESYL DIPHOSPHATE, MAGNESIUM ION, SULFATE ION, ...
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-22
Release date:2012-12-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4YAY
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BU of 4yay by Molmil
XFEL structure of human Angiotensin Receptor
Descriptor: 5,7-diethyl-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-3,4-dihydro-1,6-naphthyridin-2(1H)-one, Soluble cytochrome b562,Type-1 angiotensin II receptor
Authors:Zhang, H, Unal, H, Gati, C, Han, G.W, Zatsepin, N.A, James, D, Wang, D, Nelson, G, Weierstall, U, Messerschmidt, M, Williams, G.J, Boutet, S, Yefanov, O.M, White, T.A, Liu, W, Ishchenko, A, Tirupula, K.C, Desnoyer, R, Sawaya, M.C, Xu, Q, Coe, J, Cornrad, C.E, Fromme, P, Stevens, R.C, Katritch, V, Karnik, S.S, Cherezov, V, GPCR Network (GPCR)
Deposit date:2015-02-18
Release date:2015-04-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the Angiotensin receptor revealed by serial femtosecond crystallography.
Cell, 161, 2015
6Q7V
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BU of 6q7v by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound 11
Descriptor: Transcriptional regulator MvfR, ~{N}4-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine
Authors:Witzgall, F, Blankenfeldt, W.
Deposit date:2018-12-13
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Flexible Fragment Growing Boosts Potency of Quorum-Sensing Inhibitors against Pseudomonas aeruginosa Virulence.
Chemmedchem, 15, 2020
4YF2
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BU of 4yf2 by Molmil
Crystal structure of mouse sperm C-type lysozyme-like protein 1
Descriptor: Sperm acrosome membrane-associated protein 3
Authors:Zheng, H, Mandal, A, Shumilin, I.A, Shabalin, I.G, Herr, J.C, Minor, W.
Deposit date:2015-02-24
Release date:2015-03-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Sperm Lysozyme-Like Protein 1 (SLLP1), an intra-acrosomal oolemmal-binding sperm protein, reveals filamentous organization in protein crystal form.
Andrology, 3, 2015
2ZVW
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BU of 2zvw by Molmil
Crystal structure of Proliferating cell nuclear antigen 2 and Short peptide from human P21
Descriptor: Cyclin-dependent kinase inhibitor 1, Proliferating cell nuclear antigen 2, SULFATE ION
Authors:Strzalka, W, Oyama, T, Tori, K, Morikawa, K.
Deposit date:2008-11-21
Release date:2009-06-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of the Arabidopsis thaliana proliferating cell nuclear antigen 1 and 2 proteins complexed with the human p21 C-terminal segment
Protein Sci., 18, 2009
6Q8K
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BU of 6q8k by Molmil
CLK1 with bound pyridoquinazoline
Descriptor: 1,2-ETHANEDIOL, Dual specificity protein kinase CLK1, ~{N}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine
Authors:Schroeder, M, Tazarki, H, Zeinyeh, W, Esvan, Y.J, Khiari, J, Joesselin, B, Bach, S, Ruchaud, S, Anizon, F, Giraud, F, Moreau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2018-12-14
Release date:2019-02-20
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:New pyrido[3,4-g]quinazoline derivatives as CLK1 and DYRK1A inhibitors: synthesis, biological evaluation and binding mode analysis.
Eur J Med Chem, 166, 2019
2Z8R
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BU of 2z8r by Molmil
Crystal structure of rhamnogalacturonan lyase YesW at 1.40 A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, YesW protein
Authors:Ochiai, A, Itoh, T, Maruyama, Y, Kawamata, A, Mikami, B, Hashimoto, W, Murata, K.
Deposit date:2007-09-10
Release date:2007-10-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A Novel Structural Fold in Polysaccharide Lyases: BACILLUS SUBTILIS FAMILY 11 RHAMNOGALACTURONAN LYASE YesW WITH AN EIGHT-BLADED -PROPELLER
J.Biol.Chem., 282, 2007
2ZAA
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BU of 2zaa by Molmil
Crystal Structure of Family 7 Alginate Lyase A1-II' H191N/Y284F in Complex with Substrate (GGMG)
Descriptor: 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid, Alginate lyase, GLYCEROL
Authors:Ogura, K, Yamasaki, M, Mikami, B, Hashimoto, W, Murata, K.
Deposit date:2007-10-02
Release date:2008-05-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Substrate Recognition in Tunnel of Family 7 Alginate Lyase from Sphingomonas sp. A1
To be Published
2ZVV
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BU of 2zvv by Molmil
Crystal structure of Proliferating cellular nuclear antigen 1 and Short peptide from human P21
Descriptor: Cyclin-dependent kinase inhibitor 1, Proliferating cellular nuclear antigen 1, SULFATE ION
Authors:Strzalka, W, Oyama, T, Tori, K, Morikawa, K.
Deposit date:2008-11-21
Release date:2009-06-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of the Arabidopsis thaliana proliferating cell nuclear antigen 1 and 2 proteins complexed with the human p21 C-terminal segment
Protein Sci., 18, 2009
4YS5
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BU of 4ys5 by Molmil
DNA sequence containing 2'-Se-dC modification
Descriptor: DNA (5'-D(*GP*TP*GP*GP*(2SC)P*CP*AP*C)-3')
Authors:Kong, C, Zhang, W, Salon, J, Huang, Z.
Deposit date:2015-03-16
Release date:2016-02-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:DNA sequence containing 2'-Se-dC modification.
To Be Published
2Z8S
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BU of 2z8s by Molmil
Crystal structure of rhamnogalacturonan lyase YesW complexed with digalacturonic acid
Descriptor: CALCIUM ION, YesW protein, alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid
Authors:Ochiai, A, Itoh, T, Maruyama, Y, Kawamata, A, Mikami, B, Hashimoto, W, Murata, K.
Deposit date:2007-09-10
Release date:2007-10-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Novel Structural Fold in Polysaccharide Lyases: BACILLUS SUBTILIS FAMILY 11 RHAMNOGALACTURONAN LYASE YesW WITH AN EIGHT-BLADED -PROPELLER
J.Biol.Chem., 282, 2007

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