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2HZL
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BU of 2hzl by Molmil
Crystal structures of a sodium-alpha-keto acid binding subunit from a TRAP transporter in its closed forms
Descriptor: PYRUVIC ACID, SODIUM ION, TRAP-T family sorbitol/mannitol transporter, ...
Authors:Gonin, S, Arnoux, P, Pierru, B, Alonso, B, Sabaty, M, Pignol, D.
Deposit date:2006-08-09
Release date:2007-04-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structures of an Extracytoplasmic Solute Receptor from a TRAP transporter in its open and closed forms reveal a helix-swapped dimer requiring a cation for alpha-keto acid binding.
Bmc Struct.Biol., 7, 2007
2HYO
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BU of 2hyo by Molmil
Crystal structure of Rv0805 N97A mutant
Descriptor: FE (III) ION, MANGANESE (II) ION, Rv0805N97A
Authors:Shenoy, A.R, Capuder, M, Draskovic, P, Lamba, D, Visweswariah, S.S, Podobnik, M.
Deposit date:2006-08-07
Release date:2006-12-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural and Biochemical Analysis of the Rv0805 Cyclic Nucleotide Phosphodiesterase from Mycobacterium tuberculosis.
J.Mol.Biol., 365, 2007
2HZ0
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BU of 2hz0 by Molmil
Abl kinase domain in complex with NVP-AEG082
Descriptor: 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)METHYL]AMINO}-N-[4-PROPYL-3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase ABL1
Authors:Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P.
Deposit date:2006-08-08
Release date:2007-01-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
1OZ2
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BU of 1oz2 by Molmil
CRYSTAL STRUCTURE OF 3-MBT REPEATS OF LETHAL (3) MALIGNANT BRAIN TUMOR (NATIVE-II) AT 1.55 ANGSTROM
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lethal(3)malignant brain tumor-like protein, SULFATE ION
Authors:Wang, W.K, Tereshko, V, Boccuni, P, MacGrogan, D, Nimer, S.D, Patel, D.J.
Deposit date:2003-04-07
Release date:2003-08-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Malignant brain tumor repeats: a three-leaved propeller architecture with ligand/peptide binding pockets.
Structure, 11, 2003
2I0S
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BU of 2i0s by Molmil
Crystal structure of aromatic amine dehydrogenase TTQ-phenylacetaldehyde adduct
Descriptor: Aromatic amine dehydrogenase, PHENYLACETALDEHYDE
Authors:Roujeinikova, A, Leys, D.
Deposit date:2006-08-11
Release date:2007-04-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:New insights into the reductive half-reaction mechanism of aromatic amine dehydrogenase revealed by reaction with carbinolamine substrates.
J.Biol.Chem., 282, 2007
6RKB
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BU of 6rkb by Molmil
Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 1
Descriptor: 4-[(~{E})-2-(4-fluorophenyl)ethenyl]-1-[(~{E})-prop-1-enyl]piperidine, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Iacovino, L.G, Knez, D, Colettis, N, Sova, M, Pislar, A, Higgs, J, Kamecki, F, Mangialavori, I, Dolsak, A, Zakelj, S, Trontelj, J, Kos, J, Marder, N.M, Gobec, S, Binda, C.
Deposit date:2019-04-30
Release date:2020-01-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Stereoselective Activity of 1-Propargyl-4-styrylpiperidine-like Analogues That Can Discriminate between Monoamine Oxidase Isoforms A and B.
J.Med.Chem., 63, 2020
5MTI
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BU of 5mti by Molmil
Bamb_5917 Acyl-Carrier Protein
Descriptor: Phosphopantetheine-binding protein
Authors:Gallo, A, Kosol, S, Griffiths, D, Masschelein, J, Alkhalaf, L, Smith, H, Valentic, T, Tsai, S, Challis, G, Lewandowski, J.R.
Deposit date:2017-01-09
Release date:2018-08-01
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural basis for chain release from the enacyloxin polyketide synthase
Nat.Chem., 2019
1OT5
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BU of 1ot5 by Molmil
The 2.4 Angstrom Crystal Structure of Kex2 in complex with a peptidyl-boronic acid inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ac-Ala-Lys-boroArg N-acetylated boronic acid peptide inhibitor, ...
Authors:Holyoak, T, Wilson, M.A, Fenn, T.D, Kettner, C.A, Petsko, G.A, Fuller, R.S, Ringe, D.
Deposit date:2003-03-21
Release date:2003-06-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:2.4 A Resolution Crystal Structure of the Prototypical Hormone-Processing Protease Kex2 in Complex with an Ala-Lys-Arg Boronic Acid Inhibitor
Biochemistry, 42, 2003
6S5A
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BU of 6s5a by Molmil
CRYSTAL STRUCTURE OF FC P329G LALA WITH ANTI FC P329G FAB
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Fc P329G LALA, ...
Authors:Ehler, A, Darowski, D, Jost, C, Stubenrauch, K, Wessels, U, Benz, J, Birk, M, Freimoser-Grundschober, A, Bruenker, P, Moessner, E, Umana, P, Kobold, S, Klein, C.
Deposit date:2019-07-01
Release date:2019-09-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:P329G-CAR-J: a novel Jurkat-NFAT-based CAR-T reporter system recognizing the P329G Fc mutation.
Protein Eng.Des.Sel., 32, 2019
6RKP
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BU of 6rkp by Molmil
Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 84
Descriptor: 1-[(~{E})-prop-1-enyl]-4-[(~{E})-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Iacovino, L.G, Knez, D, Colettis, N, Sova, M, Pislar, A, Higgs, J, Kamecki, F, Mangialavori, I, Dolsak, A, Zakelj, S, Trontelj, J, Kos, J, Marder, N.M, Gobec, S, Binda, C.
Deposit date:2019-04-30
Release date:2020-01-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Stereoselective Activity of 1-Propargyl-4-styrylpiperidine-like Analogues That Can Discriminate between Monoamine Oxidase Isoforms A and B.
J.Med.Chem., 63, 2020
6ROH
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BU of 6roh by Molmil
Cryo-EM structure of the autoinhibited Drs2p-Cdc50p
Descriptor: 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Timcenko, M, Lyons, J.A, Januliene, D, Ulstrup, J.J, Dieudonne, T, Montigny, C, Ash, M.R, Karlsen, J.L, Boesen, T, Kuhlbrandt, W, Lenoir, G, Moeller, A, Nissen, P.
Deposit date:2019-05-13
Release date:2019-07-03
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structure and autoregulation of a P4-ATPase lipid flippase.
Nature, 571, 2019
5N4K
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BU of 5n4k by Molmil
N-terminal domain of a human Coronavirus NL63 nucleocapsid protein
Descriptor: Nucleoprotein, SULFATE ION
Authors:Zdzalik, M, Szelazek, B, Kabala, W, Golik, P, Burmistrz, M, Florek, D, Kus, K, Pyrc, K, Dubin, G.
Deposit date:2017-02-10
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structural Characterization of Human Coronavirus NL63 N Protein.
J. Virol., 91, 2017
1OVP
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BU of 1ovp by Molmil
LecB (PA-LII) in complex with fructose
Descriptor: CALCIUM ION, beta-D-fructopyranose, hypothetical protein LecB
Authors:Loris, R, Tielker, D, Jaeger, K.-E, Wyns, L.
Deposit date:2003-03-27
Release date:2003-09-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Basis of Carbohydrate Recognition by the Lectin LecB from Pseudomonas aeruginosa
J.MOL.BIOL., 331, 2003
5MZ8
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BU of 5mz8 by Molmil
Crystal structure of aldehyde dehydrogenase 21 (ALDH21) from Physcomitrella patens in complex with the reaction product succinate
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Kopecny, D, Vigouroux, A, Briozzo, P, Morera, S.
Deposit date:2017-01-31
Release date:2017-08-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The ALDH21 gene found in lower plants and some vascular plants codes for a NADP(+) -dependent succinic semialdehyde dehydrogenase.
Plant J., 92, 2017
6RNU
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BU of 6rnu by Molmil
BCL-XL in a complex with a covalent small molecule inhibitor
Descriptor: 4-(4-fluorophenyl)-3-fluorosulfonyl-benzoic acid, BROMIDE ION, Bcl-2-like protein 1
Authors:Hargreaves, D.
Deposit date:2019-05-09
Release date:2019-10-02
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery and optimization of covalent Bcl-xL antagonists.
Bioorg.Med.Chem.Lett., 29, 2019
2I5G
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BU of 2i5g by Molmil
Crystal strcuture of amidohydrolase from Pseudomonas aeruginosa
Descriptor: amidohydrolase
Authors:Min, T, Sauder, J.M, Wasserman, S.R, Smith, D, Burley, S.K, Shapiro, L, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2006-08-24
Release date:2006-09-05
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of amidohydrolase from Pseudomonas aeruginosa
To be Published
5MZ5
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BU of 5mz5 by Molmil
Crystal structure of aldehyde dehydrogenase 21 (ALDH21) from Physcomitrella patens in its apoform
Descriptor: 1,2-ETHANEDIOL, ALDH21), DI(HYDROXYETHYL)ETHER, ...
Authors:Kopecny, D, Koncitikova, R, Briozzo, P, Morera, S.
Deposit date:2017-01-30
Release date:2017-08-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The ALDH21 gene found in lower plants and some vascular plants codes for a NADP(+) -dependent succinic semialdehyde dehydrogenase.
Plant J., 92, 2017
2HZ4
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BU of 2hz4 by Molmil
Abl kinase domain unligated and in complex with tetrahydrostaurosporine
Descriptor: 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE, Proto-oncogene tyrosine-protein kinase ABL1
Authors:Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P.
Deposit date:2006-08-08
Release date:2007-01-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
6RPL
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BU of 6rpl by Molmil
Expanded bat circovirus with DNA VLP
Descriptor: Capsid protein
Authors:Forwood, J.K, Luque, D, Mata, C.P, Das, S, Raidal, S.
Deposit date:2019-05-14
Release date:2020-11-25
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite:expanded bat circovirus with DNA VLP
To Be Published
1OPL
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BU of 1opl by Molmil
Structural basis for the auto-inhibition of c-Abl tyrosine kinase
Descriptor: 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, MYRISTIC ACID, proto-oncogene tyrosine-protein kinase
Authors:Nagar, B, Hantschel, O, Young, M.A, Scheffzek, K, Veach, D, Bornmann, W, Clarkson, B, Superti-Furga, G, Kuriyan, J.
Deposit date:2003-03-06
Release date:2003-04-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.42 Å)
Cite:Structural basis for the autoinhibition of c-Abl tyrosine kinase
Cell(Cambridge,Mass.), 112, 2003
2I36
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BU of 2i36 by Molmil
Crystal structure of trigonal crystal form of ground-state rhodopsin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PALMITIC ACID, Rhodopsin, ...
Authors:Stenkamp, R.E, Le Trong, I, Lodowski, D.T, Salom, D, Palczewski, K.
Deposit date:2006-08-17
Release date:2006-10-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Crystal structure of a photoactivated deprotonated intermediate of rhodopsin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2I9O
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BU of 2i9o by Molmil
Design of bivalent miniprotein consisting of two independent elements, a b-hairpin peptide and a-helix peptide, tethered by eight glycines
Descriptor: MHB8A peptide
Authors:Pantoja-Uceda, D, Pineda-Lucena, A.
Deposit date:2006-09-06
Release date:2007-09-18
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Design of minimal independt protein motifs able to fold autonomously
To be Published
6RPU
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BU of 6rpu by Molmil
Structure of the ternary complex of the IMPDH enzyme from Ashbya gossypii bound to the dinucleoside polyphosphate Ap5G and GDP
Descriptor: ACETATE ION, GUANOSINE-5'-DIPHOSPHATE, Inosine-5'-monophosphate dehydrogenase, ...
Authors:Buey, R.M, Fernandez-Justel, D, Revuelta, J.L.
Deposit date:2019-05-14
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:The Bateman domain of IMP dehydrogenase is a binding target for dinucleoside polyphosphates.
J.Biol.Chem., 294, 2019
3SY1
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BU of 3sy1 by Molmil
Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR70
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETIC ACID, UPF0001 protein yggS
Authors:Vorobiev, S, Su, M, Nivon, L, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Maglaqui, M, Baker, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-07-15
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.465 Å)
Cite:Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR70
To be Published
5N5F
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BU of 5n5f by Molmil
Crystal structure of Haliangium ochraceum encapsulated ferritin
Descriptor: SODIUM ION, encapsulated ferritin
Authors:Marles-Wright, J, He, D.
Deposit date:2017-02-13
Release date:2018-01-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.057 Å)
Cite:Conservation of the structural and functional architecture of encapsulated ferritins in bacteria and archaea.
Biochem.J., 476, 2019

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