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5AGF
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BU of 5agf by Molmil
Nitrosyl complex of the D121Q variant of cytochrome c prime from Alcaligenes xylosoxidans
Descriptor: CYTOCHROME C PRIME, HEME C, NITRIC OXIDE, ...
Authors:Gahfoor, D.D, Kekilli, D, Abdullah, G.H, Dworkowski, F.S.N, Hassan, H.G, Wilson, M.T, Hough, M.A, Strange, R.W.
Deposit date:2015-01-30
Release date:2015-09-09
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Hydrogen Bonding of the Dissociated Histidine Ligand is not Required for Formation of a Proximal No Adduct in Cytochrome C'.
J.Biol.Inorg.Chem., 20, 2015
6SLM
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BU of 6slm by Molmil
Crystal structure of full-length HPV31 E6 oncoprotein in complex with LXXLL peptide of ubiquitin ligase E6AP
Descriptor: GLYCEROL, Maltose/maltodextrin-binding periplasmic protein,Protein E6,Ubiquitin-protein ligase E3A, ZINC ION, ...
Authors:Conrady, M, Gogl, G, Cousido-Siah, A, Mitschler, A, Trave, G, Simon, C.
Deposit date:2019-08-20
Release date:2020-09-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of High-Risk Papillomavirus 31 E6 Oncogenic Protein and Characterization of E6/E6AP/p53 Complex Formation.
J.Virol., 95, 2020
6MWR
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BU of 6mwr by Molmil
Recognition of MHC-like molecule
Descriptor: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ...
Authors:Le Nours, J, Rossjohn, J.
Deposit date:2018-10-30
Release date:2019-12-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A class of gamma delta T cell receptors recognize the underside of the antigen-presenting molecule MR1.
Science, 366, 2019
8AUU
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BU of 8auu by Molmil
Human Aldose Reductase Mutant A299G in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
Descriptor: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Hubert, L.-S, Heine, A, Klebe, G.
Deposit date:2022-08-25
Release date:2023-09-06
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Human Aldose Reductase Mutant A299G in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
To Be Published
1JK6
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BU of 1jk6 by Molmil
UNCOMPLEXED DES 1-6 BOVINE NEUROPHYSIN
Descriptor: NEUROPHYSIN 2
Authors:Rose, J.P, Wang, B.-C.
Deposit date:2001-07-11
Release date:2003-04-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of an Unliganded Neurophysin and its Vasopressin Complex: Implications for Binding and Allosteric Mechanisms
Protein Sci., 10, 2003
9IYB
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BU of 9iyb by Molmil
Cryo-EM Structure of the Prostaglandin D2 Receptor 2-PGD2 Coupled to G Protein
Descriptor: 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Xu, J, Xu, Y, Wu, C, Xu, H.E.
Deposit date:2024-07-30
Release date:2024-12-04
Last modified:2025-02-26
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite:Molecular basis of lipid and ligand regulation of prostaglandin receptor DP2.
Proc.Natl.Acad.Sci.USA, 121, 2024
1W92
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BU of 1w92 by Molmil
The structure of carbomonoxy murine neuroglobin reveals a heme- sliding mechanism for affinity regulation
Descriptor: CARBON MONOXIDE, NEUROGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Vallone, B, Nienhaus, K, Matthes, A, Brunori, M, Nienhaus, G.U.
Deposit date:2004-10-05
Release date:2004-11-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Structure of Carbonmonoxy Neuroglobin Reveals a Heme-Sliding Mechanism for Control of Ligand Affinity
Proc.Natl.Acad.Sci.USA, 101, 2004
4FDK
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BU of 4fdk by Molmil
F78L Tt H-NOX
Descriptor: Methyl-accepting chemotaxis protein, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Weinert, E.E, Phillips-Piro, C.M, Marletta, M.A.
Deposit date:2012-05-28
Release date:2013-08-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Porphyrin pi-stacking in a heme protein scaffold tunes gas ligand affinity.
J.Inorg.Biochem., 127C, 2013
3QUJ
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BU of 3quj by Molmil
Crystal structure of the phosphonate binding protein, PhnD, from Escherichia coli
Descriptor: PhnD, subunit of alkylphosphonate ABC transporter, UNKNOWN LIGAND
Authors:Alicea, I, Schreiter, E.R.
Deposit date:2011-02-24
Release date:2011-10-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the Escherichia coli Phosphonate Binding Protein PhnD and Rationally Optimized Phosphonate Biosensors.
J.Mol.Biol., 414, 2011
6NZR
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BU of 6nzr by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_12 AKA 4-[(2-methanesulfonylphenyl)amino]-N-(H3)methyl-6-[(pyridin-2- yl)amino]pyridazine-3-carboxamide
Descriptor: N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
Authors:Khan, J.A.
Deposit date:2019-02-14
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019
4IGX
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BU of 4igx by Molmil
Crystal structure of kirola (Act d 11) - triclinic form
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Kirola, ...
Authors:Chruszcz, M, Ciardiello, M.A, Giangrieco, I, Osinski, T, Minor, W.
Deposit date:2012-12-18
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural and bioinformatic analysis of the kiwifruit allergen Act d 11, a member of the family of ripening-related proteins.
Mol.Immunol., 56, 2013
2F5X
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BU of 2f5x by Molmil
Structure of periplasmic binding protein BugD
Descriptor: ASPARTIC ACID, BugD
Authors:Huvent, I, Belrhali, H, Antoine, R, Bompard, C, Jacob-Dubuisson, F, Villeret, V.
Deposit date:2005-11-28
Release date:2006-01-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal Structure of Bordetella pertussis BugD Solute Receptor Unveils the Basis of Ligand Binding in a New Family of Periplasmic Binding Proteins
J.Mol.Biol., 356, 2006
4IH0
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BU of 4ih0 by Molmil
Crystal structure of kirola (Act d 11) from crystal soaked with serotonin
Descriptor: CHLORIDE ION, Kirola, MAGNESIUM ION, ...
Authors:Chruszcz, M, Ciardiello, M.A, Giangrieco, I, Osinski, T, Minor, W.
Deposit date:2012-12-18
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and bioinformatic analysis of the kiwifruit allergen Act d 11, a member of the family of ripening-related proteins.
Mol.Immunol., 56, 2013
1O7V
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BU of 1o7v by Molmil
High resolution structure of Siglec-7
Descriptor: SIALIC ACID BINDING IG-LIKE LECTIN 7, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Alphey, M.S, Attrill, H, Crocker, P.R, Van Aalten, D.M.F.
Deposit date:2002-11-14
Release date:2003-03-30
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High resolution crystal structures of Siglec-7. Insights into ligand specificity in the Siglec family.
J.Biol.Chem., 278, 2003
5LIV
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BU of 5liv by Molmil
Crystal structure of myxobacterial CYP260A1
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome P450 CYP260A1,Cytochrome P450 CYP260A1, DIMETHYL SULFOXIDE, ...
Authors:Carius, Y, Khatri, Y, Bernhardt, R, Lancaster, C.R.D.
Deposit date:2016-07-15
Release date:2016-11-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structural characterization of CYP260A1 from Sorangium cellulosum to investigate the 1 alpha-hydroxylation of a mineralocorticoid.
FEBS Lett., 590, 2016
2PEV
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BU of 2pev by Molmil
Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution exceeds concentration of IDD594.
Descriptor: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ...
Authors:Petrova, T, Hazemann, I, Cousido, A, Mitschler, A, Ginell, S, Joachimiak, A, Podjarny, A.
Deposit date:2007-04-03
Release date:2007-04-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Crystal packing modifies ligand binding affinity: The case of aldose reductase.
Proteins, 80, 2012
1SR7
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BU of 1sr7 by Molmil
Progesterone Receptor Hormone Binding Domain with Bound Mometasone Furoate
Descriptor: GLYCEROL, MOMETASONE FUROATE, Progesterone receptor, ...
Authors:Madauss, K.P, Deng, S.-J, Austin, R.J, Lambert, M.H, McLay, I, Pritchard, J, Short, S.A, Stewart, E.L, Uings, I.J, Williams, S.P.
Deposit date:2004-03-22
Release date:2004-06-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Progesterone receptor ligand binding pocket flexibility: crystal structures of the norethindrone and mometasone furoate complexes
J.Med.Chem., 47, 2004
3IPT
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BU of 3ipt by Molmil
Crystal Structure of Ketosteroid Isomerase Y16S/D40N from Pseudomonas putida with Bound Equilenin
Descriptor: EQUILENIN, Steroid Delta-isomerase
Authors:Fenn, T.D, Sigala, P.A, Herschlag, D.
Deposit date:2009-08-18
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.632 Å)
Cite:Dissecting the paradoxical effects of hydrogen bond mutations in the ketosteroid isomerase oxyanion hole.
Proc.Natl.Acad.Sci.USA, 107, 2010
1O7S
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BU of 1o7s by Molmil
High resolution structure of Siglec-7
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, ...
Authors:Alphey, M.S, Attrill, H, Crocker, P.R, Van Aalten, D.M.F.
Deposit date:2002-11-12
Release date:2003-03-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:High Resolution Structures of Siglec-7 - Insights Into Ligand Specificity in the Siglec Family
J.Biol.Chem., 278, 2003
6NZP
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BU of 6nzp by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH COMPOUND-11 AKA 6-CYCLOPROPANEAMIDO-4-{[2-METHOXY-3-(1-METHYL-1H-1,2,4-TRI AZOL-3-YL)PHENYL]AMINO}-N-(?H?)METHYLPYRIDAZINE-3-CARBOXAMIDE
Descriptor: 6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide, CHLORIDE ION, Non-receptor tyrosine-protein kinase TYK2
Authors:Khan, J.A.
Deposit date:2019-02-14
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019
7U2L
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BU of 7u2l by Molmil
C5guano-uOR-Gi-scFv16
Descriptor: 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Wang, H, Qu, Q, Skiniotis, G, Kobilka, B.
Deposit date:2022-02-24
Release date:2022-05-04
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure-based design of bitopic ligands for the μ-opioid receptor.
Nature, 613, 2023
6NZQ
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BU of 6nzq by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_29 AKA 6-[(5-FLUORO-4-METH YLPYRIDIN-2-YL)AMINO]-4-({2-METHOXY-3-[(PYRIDIN-2-YLMETHYL )CARBAMOYL]PHENYL}AMINO)-N-METHYLPYRIDINE-3-CARBOXAMIDE
Descriptor: 6-[(5-fluoro-4-methylpyridin-2-yl)amino]-4-[(2-methoxy-3-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)amino]-N-methylpyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Khan, J.A.
Deposit date:2019-02-14
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019
6YIJ
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BU of 6yij by Molmil
Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand
Descriptor: (4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one, CREBBP
Authors:Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P.
Deposit date:2020-04-01
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand
To Be Published
3RC9
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BU of 3rc9 by Molmil
Crystal Structure of the K102A mutant of KijD10, a 3-ketoreductase from Actinomadura kijaniata in complex with TDP-benzene and NADP
Descriptor: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Holden, H.M, Kubiak, R.L.
Deposit date:2011-03-30
Release date:2011-06-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Combined Structural and Functional Investigation of a C-3''-Ketoreductase Involved in the Biosynthesis of dTDP-l-Digitoxose.
Biochemistry, 50, 2011
3RLE
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BU of 3rle by Molmil
Crystal Structure of GRASP55 GRASP domain (residues 7-208)
Descriptor: Golgi reassembly-stacking protein 2
Authors:Truschel, S.T, Sengupta, D, Foote, A, Heroux, A, Macbeth, M.R, Linstedt, A.D.
Deposit date:2011-04-19
Release date:2011-05-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.649 Å)
Cite:Structure of the Membrane-tethering GRASP Domain Reveals a Unique PDZ Ligand Interaction That Mediates Golgi Biogenesis.
J.Biol.Chem., 286, 2011

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