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7Z76
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BU of 7z76 by Molmil
Crystal structure of compound 10 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB
Descriptor: (2~{S},4~{R})-~{N}-[(1~{R})-2-[(2~{R})-1-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propan-2-yl]oxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{S})-2-[[1-(dimethylamino)cyclopropyl]carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
Authors:Bader, G, Boettcher, J, Wolkerstorfer, B.
Deposit date:2022-03-15
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo.
Nat Commun, 13, 2022
7Z78
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BU of 7z78 by Molmil
Crystal structure of compound 4 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB
Descriptor: 4-bromanyl-7-cyclopentyl-9-piperidin-4-yl-benzimidazolo[1,2-a]quinazolin-5-one, Probable global transcription activator SNF2L2, ZINC ION
Authors:Bader, G, Boettcher, J, Wolkerstorfer, B.
Deposit date:2022-03-15
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo.
Nat Commun, 13, 2022
4V2O
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BU of 4v2o by Molmil
Structure of saposin B in complex with chloroquine
Descriptor: N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE, SAPOSIN-B
Authors:Zubieta, C, Lai, X, Doyle, R.P.
Deposit date:2014-10-13
Release date:2015-12-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:The Lysosomal Protein Saposin B Binds Chloroquine.
Chemmedchem, 11, 2016
2GGD
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BU of 2ggd by Molmil
CP4 EPSP synthase Ala100Gly liganded with S3P and Glyphosate
Descriptor: 3-phosphoshikimate 1-carboxyvinyltransferase, GLYPHOSATE, SHIKIMATE-3-PHOSPHATE
Authors:Schonbrunn, E, Funke, T.
Deposit date:2006-03-23
Release date:2006-08-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular basis for the herbicide resistance of Roundup Ready crops.
Proc.Natl.Acad.Sci.Usa, 103, 2006
4PSH
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BU of 4psh by Molmil
Structure of holo ArgBP from T. maritima
Descriptor: ABC-type transporter, periplasmic subunit family 3, ARGININE
Authors:Ruggiero, A, Dattelbaum, J.D, Staiano, M, Berisio, R, D'Auria, S, Vitagliano, L.
Deposit date:2014-03-07
Release date:2014-07-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A loose domain swapping organization confers a remarkable stability to the dimeric structure of the arginine binding protein from Thermotoga maritima
Plos One, 9, 2014
4PM0
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BU of 4pm0 by Molmil
PDE7A catalytic domain in complex with 2-(Cyclopentylamino)thieno[3,2-d]pyrimidin-4(3H)-one derivative
Descriptor: 2-(cyclopentylamino)-3-ethyl-7-ethynylthieno[3,2-d]pyrimidin-4(3H)-one, High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A, MAGNESIUM ION, ...
Authors:Kawai, K, Endo, Y, Asano, T, Amano, S, Sawada, K, Ueo, N, Takahashi, N, Sonoda, Y, Kamei, N, Nagata, N.
Deposit date:2014-05-20
Release date:2014-12-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of 2-(Cyclopentylamino)thieno[3,2-d]pyrimidin-4(3H)-one Derivatives as a New Series of Potent Phosphodiesterase 7 Inhibitors.
J.Med.Chem., 57, 2014
2CAB
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BU of 2cab by Molmil
STRUCTURE, REFINEMENT AND FUNCTION OF CARBONIC ANHYDRASE ISOZYMES. REFINEMENT OF HUMAN CARBONIC ANHYDRASE I
Descriptor: CARBONIC ANHYDRASE FORM B, ZINC ION
Authors:Kannan, K.K, Ramanadham, M, Jones, T.A.
Deposit date:1983-10-05
Release date:1984-02-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure, refinement, and function of carbonic anhydrase isozymes: refinement of human carbonic anhydrase I
Ann.N.Y.Acad.Sci., 429, 1984
2GG6
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BU of 2gg6 by Molmil
CP4 EPSP synthase liganded with S3P
Descriptor: 3-phosphoshikimate 1-carboxyvinyltransferase, SHIKIMATE-3-PHOSPHATE, SULFATE ION
Authors:Schonbrunn, E, Funke, T.
Deposit date:2006-03-23
Release date:2006-08-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Molecular basis for the herbicide resistance of Roundup Ready crops.
Proc.Natl.Acad.Sci.Usa, 103, 2006
3RE8
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BU of 3re8 by Molmil
Structural and Kinetic Analysis of the Beef liver Catalase interacting with Nitric Oxide
Descriptor: Catalase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Purwar, N, Schmidt, M.
Deposit date:2011-04-03
Release date:2011-05-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Interaction of nitric oxide with catalase: structural and kinetic analysis.
Biochemistry, 50, 2011
4MXW
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BU of 4mxw by Molmil
Structure of heterotrimeric lymphotoxin LTa1b2 bound to lymphotoxin beta receptor LTbR and anti-LTa Fab
Descriptor: Lymphotoxin-alpha, Lymphotoxin-beta, Tumor necrosis factor receptor superfamily member 3, ...
Authors:Sudhamsu, J, Yin, J.P, Hymowitz, S.G.
Deposit date:2013-09-26
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Dimerization of LT beta R by LT alpha 1 beta 2 is necessary and sufficient for signal transduction.
Proc.Natl.Acad.Sci.USA, 110, 2013
7KZE
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BU of 7kze by Molmil
Substrate-dependent divergence of leukotriene A4 hydrolase aminopeptidase activity
Descriptor: 1-benzyl-4-methoxybenzene, Leukotriene A-4 hydrolase, TRIETHYLENE GLYCOL, ...
Authors:Lee, K.H, Shim, Y, Paige, M, Noble, S.M.
Deposit date:2020-12-10
Release date:2022-06-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Substrate-dependent modulation of the leukotriene A 4 hydrolase aminopeptidase activity and effect in a murine model of acute lung inflammation.
Sci Rep, 12, 2022
2VFU
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BU of 2vfu by Molmil
Alditol Oxidase from Streptomyces coelicolor A3(2): Complex with Mannitol
Descriptor: D-MANNITOL, FLAVIN-ADENINE DINUCLEOTIDE, XYLITOL OXIDASE
Authors:Forneris, F, Mattevi, A.
Deposit date:2007-11-05
Release date:2008-01-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Analysis of the Catalytic Mechanism and Stereoselectivity in Streptomyces Coelicolor Alditol Oxidase.
Biochemistry, 47, 2008
1NUO
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BU of 1nuo by Molmil
Two RTH Mutants with Impaired Hormone Binding
Descriptor: Thyroid hormone receptor beta-1, [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID
Authors:Huber, B.R, Sandler, B, West, B.L, Cunha-Lima, S.T, Nguyen, H.T, Apriletti, J.W, Baxter, J.D, Fletterick, R.J.
Deposit date:2003-01-31
Release date:2003-04-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Two resistance to thyroid hormone mutants with impaired hormone binding
Mol.Endocrinol., 17, 2003
4OWL
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BU of 4owl by Molmil
Crystal Structure of the Vibrio vulnificus Hemolysin/Cytolysin Beta-Trefoil Lectin with N-Acetyl-D-Lactosamine Bound
Descriptor: Cytolysin, GLYCEROL, beta-D-galactopyranose, ...
Authors:Kaus, K, Olson, R.
Deposit date:2014-02-02
Release date:2014-05-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Glycan Specificity of the Vibrio vulnificus Hemolysin Lectin Outlines Evolutionary History of Membrane Targeting by a Toxin Family.
J.Mol.Biol., 426, 2014
1B1A
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BU of 1b1a by Molmil
GLUTAMATE MUTASE (B12-BINDING SUBUNIT), NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: GLUTAMATE MUTASE
Authors:Hoffmann, B, Konrat, R, Bothe, H, Buckel, W, Kraeutler, B.
Deposit date:1998-11-19
Release date:1999-07-13
Last modified:2024-04-10
Method:SOLUTION NMR
Cite:Structure and dynamics of the B12-binding subunit of glutamate mutase from Clostridium cochlearium.
Eur.J.Biochem., 263, 1999
4OGS
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BU of 4ogs by Molmil
Crystal structure of GFP S205A/T203V at 2.2 A resolution
Descriptor: CHLORIDE ION, Green fluorescent protein
Authors:Remington, S.J, Saif, M.
Deposit date:2014-01-16
Release date:2014-05-14
Last modified:2014-06-18
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Insight into the structure and the mechanism of the slow proton transfer in the GFP double mutant T203V/S205A.
Phys Chem Chem Phys, 16, 2014
4PRS
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BU of 4prs by Molmil
Structure of apo ArgBP from T. maritima
Descriptor: ABC-type transporter, periplasmic subunit family 3
Authors:Ruggiero, A, Dattelbaum, J.D, Staiano, M, Berisio, R, D'Auria, S, Vitagliano, L.
Deposit date:2014-03-06
Release date:2014-07-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:A loose domain swapping organization confers a remarkable stability to the dimeric structure of the arginine binding protein from Thermotoga maritima
Plos One, 9, 2014
1Q0P
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BU of 1q0p by Molmil
A domain of Factor B
Descriptor: Complement factor B, MANGANESE (II) ION
Authors:Bhattacharya, A.A, Liddington, R.C.
Deposit date:2003-07-17
Release date:2004-03-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the A Domain from Complement Factor B Reveals an Integrin-like Open Conformation.
STRUCTURE, 12, 2004
1BXR
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BU of 1bxr by Molmil
STRUCTURE OF CARBAMOYL PHOSPHATE SYNTHETASE COMPLEXED WITH THE ATP ANALOG AMPPNP
Descriptor: CARBAMOYL-PHOSPHATE SYNTHASE, CHLORIDE ION, L-ornithine, ...
Authors:Thoden, J.B, Wesenberg, G, Raushel, F.M, Holden, H.M.
Deposit date:1998-10-08
Release date:1999-04-20
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Carbamoyl phosphate synthetase: closure of the B-domain as a result of nucleotide binding.
Biochemistry, 38, 1999
4Q3M
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BU of 4q3m by Molmil
Crystal structure of MGS-M4, an aldo-keto reductase enzyme from a Medee basin deep-sea metagenome library
Descriptor: MGS-M4, SODIUM ION, SULFATE ION
Authors:Stogios, P.J, Xu, X, Cui, H, Alcaide, M, Ferrer, M, Savchenko, A.
Deposit date:2014-04-11
Release date:2015-02-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.552 Å)
Cite:Pressure adaptation is linked to thermal adaptation in salt-saturated marine habitats.
Environ Microbiol, 17, 2015
1JUI
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BU of 1jui by Molmil
CONCANAVALIN A-CARBOHYDRATE MIMICKING 10-MER PEPTIDE COMPLEX
Descriptor: 10-mer Peptide, CALCIUM ION, Concanavalin-Br, ...
Authors:Jain, D, Kaur, K.J, Salunke, D.M.
Deposit date:2001-08-24
Release date:2002-08-24
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Plasticity in protein-peptide recognition: crystal structures of two different peptides bound to concanavalin A.
Biophys.J., 80, 2001
1OBM
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BU of 1obm by Molmil
RECOMBINANT SPERM WHALE MYOGLOBIN 29F/64Q/68F/122N MUTANT (MET)
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Brucker, E.A, Lile, R.A, Phillips Jr, G.N.
Deposit date:1997-12-19
Release date:1998-04-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Solution and crystal structures of a sperm whale myoglobin triple mutant that mimics the sulfide-binding hemoglobin from Lucina pectinata.
J.Biol.Chem., 273, 1998
4BW2
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BU of 4bw2 by Molmil
The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand
Descriptor: 1,2-ETHANEDIOL, 4-((2-(TERT-BUTYL)PHENYL)AMINO)-7-(3,5-dimethylisoxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid, BROMODOMAIN-CONTAINING PROTEIN 4
Authors:Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E.
Deposit date:2013-06-29
Release date:2013-09-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Naphthyridines as Novel Bet Family Bromodomain Inhibitors.
Chemmedchem, 9, 2014
4MYQ
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BU of 4myq by Molmil
Selective Inhibition of the Catalytic Domain Of Human Phosphodiesterase 4B With A-33
Descriptor: (4-{[2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]amino}phenyl)acetic acid, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Fox III, D, Edwards, T.E.
Deposit date:2013-09-27
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the design of selective phosphodiesterase 4B inhibitors.
Cell Signal, 26, 2014
1XD3
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BU of 1xd3 by Molmil
Crystal structure of UCHL3-UbVME complex
Descriptor: MAGNESIUM ION, METHYL 4-AMINOBUTANOATE, UBC protein, ...
Authors:Misaghi, S, Galardy, P.J, Meester, W.J.N, Ovaa, H, Ploegh, H.L, Gaudet, R.
Deposit date:2004-09-03
Release date:2004-11-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of the Ubiquitin Hydrolase UCH-L3 Complexed with a Suicide Substrate
J.Biol.Chem., 280, 2005

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