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5V63
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BU of 5v63 by Molmil
Crystal structure of macrocycles containing Abeta 16-22 (KLV(PHI)FAE) and Abeta 30-36 (AII(SAR)L(ORN)V)
Descriptor: ORN-LYS-LEU-VAL-PHI-PHE-ALA-GLU-ORN-ALA-ILE-ILE-SAR-LEU-MET-VAL
Authors:Spencer, R.K, Salveson, P.J, Nowick, J.S.
Deposit date:2017-03-15
Release date:2017-06-28
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.091 Å)
Cite:X-ray Crystallographic Structure of a Compact Dodecamer from a Peptide Derived from A beta 16-36.
Org. Lett., 19, 2017
6FN9
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BU of 6fn9 by Molmil
Mono- and bivalent 14-3-3 inhibitors for characterizing supramolecular lysine-PEG interactions in proteins
Descriptor: 14-3-3 protein zeta/delta, BENZOIC ACID, GLYCEROL, ...
Authors:Bier, D, Ottmann, C.
Deposit date:2018-02-02
Release date:2018-07-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Mono- and Bivalent 14-3-3 Inhibitors for Characterizing Supramolecular "Lysine Wrapping" of Oligoethylene Glycol (OEG) Moieties in Proteins.
Chemistry, 24, 2018
4TQI
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BU of 4tqi by Molmil
Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid in a dual binding mode
Descriptor: (2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid, GLYCEROL, Transthyretin
Authors:Stura, E.A, Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E.
Deposit date:2014-06-11
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors.
J Enzyme Inhib Med Chem, 2015
3NXU
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BU of 3nxu by Molmil
Crystal structure of human cytochrome P4503A4 bound to an inhibitor ritonavir
Descriptor: Cytochrome P450 3A4, DIMETHYL SULFOXIDE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Sevrioukova, I.F, Poulos, T.L.
Deposit date:2010-07-14
Release date:2010-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and mechanism of the complex between cytochrome P4503A4 and ritonavir.
Proc.Natl.Acad.Sci.USA, 107, 2010
1PXP
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BU of 1pxp by Molmil
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR N-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-N',N'-dimethyl-benzene-1,4-diamine
Descriptor: Cell division protein kinase 2, N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE
Authors:Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Mezna, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M.
Deposit date:2003-07-04
Release date:2004-04-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity.
J.Med.Chem., 47, 2004
6M2D
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BU of 6m2d by Molmil
MUL1-RING domain
Descriptor: Mitochondrial ubiquitin ligase activator of NFKB 1, SULFATE ION, ZINC ION
Authors:Lee, S.O, Ryu, K.S, Chi, S.-W.
Deposit date:2020-02-27
Release date:2021-04-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.795 Å)
Cite:MUL1-RING recruits the substrate, p53-TAD as a complex with UBE2D2-UB conjugate.
Febs J., 2022
4DLK
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BU of 4dlk by Molmil
Crystal Structure of ATP-Ca++ complex of purK: N5-carboxyaminoimidazole ribonucleotide synthetase
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, PHOSPHATE ION, ...
Authors:Fung, L.W, Tuntland, M.L, Santarsiero, B.D, Johnson, M.E.
Deposit date:2012-02-06
Release date:2013-02-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Elucidation of the bicarbonate binding site and insights into the carboxylation mechanism of (N(5))-carboxyaminoimidazole ribonucleotide synthase (PurK) from Bacillus anthracis.
Acta Crystallogr.,Sect.D, 70, 2014
7XYV
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BU of 7xyv by Molmil
Crystal structure of ZYG11B bound to SFLH degron
Descriptor: Protein zyg-11 homolog B
Authors:Dong, C, Yan, X, Li, Y.
Deposit date:2022-06-02
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:CRL2 ZER1/ZYG11B recognizes small N-terminal residues for degradation.
Nat Commun, 13, 2022
7XYW
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BU of 7xyw by Molmil
Crystal structure of ZYG11B bound to AFLH degron
Descriptor: Protein zyg-11 homolog B
Authors:Dong, C, Yan, X, Li, Y.
Deposit date:2022-06-02
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:CRL2 ZER1/ZYG11B recognizes small N-terminal residues for degradation.
Nat Commun, 13, 2022
7XYX
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BU of 7xyx by Molmil
Crystal structure of ZYG11B bound to CFLH degron
Descriptor: Protein zyg-11 homolog B
Authors:Dong, C, Yan, X, Li, Y.
Deposit date:2022-06-02
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:CRL2 ZER1/ZYG11B recognizes small N-terminal residues for degradation.
Nat Commun, 13, 2022
7XYS
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BU of 7xys by Molmil
Crystal structure of ZER1 bound to SFLH degron
Descriptor: Protein zer-1 homolog
Authors:Dong, C, Yan, X, Li, Y.
Deposit date:2022-06-02
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:CRL2 ZER1/ZYG11B recognizes small N-terminal residues for degradation.
Nat Commun, 13, 2022
3ZKQ
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BU of 3zkq by Molmil
BACE2 XAPERONE COMPLEX
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-SECRETASE 2, CHLORIDE ION, ...
Authors:Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
Deposit date:2013-01-24
Release date:2013-05-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
1M35
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BU of 1m35 by Molmil
Aminopeptidase P from Escherichia coli
Descriptor: AMINOPEPTIDASE P, MANGANESE (II) ION
Authors:Graham, S.C, Lee, M, Freeman, H.C, Guss, J.M.
Deposit date:2002-06-27
Release date:2003-05-06
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:An orthorhombic form of Escherichia coli aminopeptidase P at 2.4 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
7XYU
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BU of 7xyu by Molmil
Crystal structure of ZER1 bound to TFLH degron
Descriptor: Protein zer-1 homolog
Authors:Dong, C, Yan, X, Li, Y.
Deposit date:2022-06-02
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:CRL2 ZER1/ZYG11B recognizes small N-terminal residues for degradation.
Nat Commun, 13, 2022
1M4U
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BU of 1m4u by Molmil
Crystal structure of Bone Morphogenetic Protein-7 (BMP-7) in complex with the secreted antagonist Noggin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Bone Morphogenetic Protein-7, Noggin
Authors:Groppe, J, Greenwald, J, Wiater, E, Rodriguez-Leon, J, Economides, A.N, Kwiatkowski, W, Affolter, M, Vale, W.W, Izpisua-Belmonte, J.C, Choe, S.
Deposit date:2002-07-03
Release date:2002-12-18
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structural Basis of BMP Signalling Inhibition by the Cystine Knot Protein Noggin
Nature, 420, 2002
5HW0
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BU of 5hw0 by Molmil
Erwinia chrysanthemi L-asparaginase + Glutamic acid
Descriptor: GLUTAMIC ACID, L-asparaginase
Authors:Nguyen, H.A, Lavie, A.
Deposit date:2016-01-28
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Structural Insight into Substrate Selectivity of Erwinia chrysanthemi l-Asparaginase.
Biochemistry, 55, 2016
7XYT
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BU of 7xyt by Molmil
Crystal structure of ZER1 bound to AFLH degron
Descriptor: Protein zer-1 homolog
Authors:Dong, C, Yan, X, Li, Y.
Deposit date:2022-06-02
Release date:2022-12-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:CRL2 ZER1/ZYG11B recognizes small N-terminal residues for degradation.
Nat Commun, 13, 2022
2ZUY
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BU of 2zuy by Molmil
Crystal structure of exotype rhamnogalacturonan lyase YesX
Descriptor: CALCIUM ION, YesX protein
Authors:Ochiai, A, Itoh, T, Mikami, B, Hashimoto, W, Murata, K.
Deposit date:2008-10-28
Release date:2009-02-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural determinants responsible for substrate recognition and mode of action in family 11 polysaccharide lyases
J.Biol.Chem., 284, 2009
6DJX
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BU of 6djx by Molmil
Crystal Structure of pParkin-pUb-UbcH7 complex
Descriptor: RBR-type E3 ubiquitin transferase,RBR-type E3 ubiquitin transferase, Ubiquitin, Ubiquitin-conjugating enzyme E2 L3, ...
Authors:Sauve, V, Sung, G, Trempe, J.F, Gehring, K.
Deposit date:2018-05-27
Release date:2018-07-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (4.801 Å)
Cite:Mechanism of parkin activation by phosphorylation.
Nat. Struct. Mol. Biol., 25, 2018
3T2D
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BU of 3t2d by Molmil
Fructose-1,6-bisphosphate aldolase/phosphatase from Thermoproteus neutrophilus, FBP-bound form
Descriptor: 1,6-di-O-phosphono-D-fructose, Fructose-1,6-bisphosphate aldolase/phosphatase, MAGNESIUM ION
Authors:Du, J, Say, R, Lue, W, Fuchs, G, Einsle, O.
Deposit date:2011-07-22
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Active-site remodelling in the bifunctional fructose-1,6-bisphosphate aldolase/phosphatase.
Nature, 478, 2011
5URG
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BU of 5urg by Molmil
rat CYPOR D632F mutant
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Xia, C, Kim, J.J.
Deposit date:2017-02-10
Release date:2018-02-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Kinetic Studies of Asp632 Mutants and Fully Reduced NADPH-Cytochrome P450 Oxidoreductase Define the Role of Asp632 Loop Dynamics in the Control of NADPH Binding and Hydride Transfer.
Biochemistry, 57, 2018
4G9I
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BU of 4g9i by Molmil
Crystal structure of T.kodakarensis HypF
Descriptor: Hydrogenase maturation protein HypF, ZINC ION
Authors:Tominaga, T, Watanabe, S, Matsumi, R, Atomi, H, Imanaka, T, Miki, K.
Deposit date:2012-07-24
Release date:2012-10-24
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Structure of the [NiFe]-hydrogenase maturation protein HypF from Thermococcus kodakarensis KOD1.
Acta Crystallogr.,Sect.F, 68, 2012
3ZO4
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BU of 3zo4 by Molmil
The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(4-PHENYL-1,9-DIAZASPIRO[5.5]UNDECAN-9-YL)-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ...
Authors:Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I.
Deposit date:2013-02-20
Release date:2013-03-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases.
Bioorg. Med. Chem., 21, 2013
3ZKG
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BU of 3zkg by Molmil
BACE2 MUTANT APO STRUCTURE
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-SECRETASE 2
Authors:Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
Deposit date:2013-01-23
Release date:2013-05-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
2GHH
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BU of 2ghh by Molmil
Conformational mobility in the active site of a heme peroxidase
Descriptor: NITRIC OXIDE, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Badyal, S.K, Joyce, M.G, Sharp, K.H, Raven, E.L, Moody, P.C.E.
Deposit date:2006-03-27
Release date:2006-06-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.013 Å)
Cite:Conformational Mobility in the Active Site of a Heme Peroxidase.
J.Biol.Chem., 281, 2006

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