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4NRB
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BU of 4nrb by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with compound-1 N01197
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, N-methyl-2-(tetrahydro-2H-pyran-4-yloxy)benzamide
Authors:Muniz, J.R.C, Felletar, I, Chaikuad, A, Filippakopoulos, P, Ferguson, F.M, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Ciulli, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-11-26
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain.
J.Med.Chem., 56, 2013
2OT3
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BU of 2ot3 by Molmil
Crystal structure of rabex-5 VPS9 domain in complex with nucleotide free RAB21
Descriptor: Rab5 GDP/GTP exchange factor, Ras-related protein Rab-21
Authors:Delprato, A, Lambright, D.
Deposit date:2007-02-07
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for Rab GTPase activation by VPS9 domain exchange factors.
Nat.Struct.Mol.Biol., 14, 2007
4NRC
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BU of 4nrc by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with compound-3 N01186
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide, ...
Authors:Muniz, J.R.C, Felletar, I, Chaikuad, A, Filippakopoulos, P, Ferguson, F.M, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Ciulli, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-11-26
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain.
J.Med.Chem., 56, 2013
6A51
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BU of 6a51 by Molmil
Novel Regulators CheP and CheQ Specifically Control Chemotaxis Core Gene cheVAW Transcription in Bacterial Pathogen Campylobacter jejuni
Descriptor: CheQ
Authors:Lu, G, Gao, B, Cha, G, Chen, Z, Mo, R.
Deposit date:2018-06-21
Release date:2019-06-26
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The novel regulators CheP and CheQ control the core chemotaxis operon cheVAW in Campylobacter jejuni.
Mol.Microbiol., 111, 2019
4NF9
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BU of 4nf9 by Molmil
Structure of the Knl1/Nsl1 complex
Descriptor: CHLORIDE ION, Kinetochore-associated protein NSL1 homolog, Protein CASC5
Authors:Petrovic, A, Mosalaganti, S, Keller, J, Mattiuzzo, M, Overlack, K, Wohlgemuth, S, Pasqualato, S, Raunser, S, Musacchio, A.
Deposit date:2013-10-31
Release date:2014-03-19
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Modular Assembly of RWD Domains on the Mis12 Complex Underlies Outer Kinetochore Organization.
Mol.Cell, 53, 2014
4KM8
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BU of 4km8 by Molmil
Crystal structure of Sufud60
Descriptor: Suppressor of fused homolog
Authors:Zhang, Y, Qi, X, Zhang, Z, Wu, G.
Deposit date:2013-05-08
Release date:2013-11-20
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural insight into the mutual recognition and regulation between Suppressor of Fused and Gli/Ci.
Nat Commun, 4, 2013
4GA8
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BU of 4ga8 by Molmil
Human AKR1B10 mutant V301L complexed with NADP+ and sorbinil
Descriptor: Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SORBINIL
Authors:Cousido-Siah, A, Ruiz Figueras, F.X, Mitschler, A, Podjarny, A.
Deposit date:2012-07-25
Release date:2013-08-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.942 Å)
Cite:

4GAB
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BU of 4gab by Molmil
Human AKR1B10 mutant V301L complexed with NADP+ and fidarestat
Descriptor: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldo-keto reductase family 1 member B10, CHLORIDE ION, ...
Authors:Cousido-Siah, A, Ruiz Figueras, F.X, Mitschler, A, Podjarny, A.
Deposit date:2012-07-25
Release date:2013-03-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5971 Å)
Cite:X-ray structure of the V301L aldo-keto reductase 1B10 complexed with NADP(+) and the potent aldose reductase inhibitor fidarestat: Implications for inhibitor binding and selectivity.
Chem.Biol.Interact, 202, 2013
2QIC
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BU of 2qic by Molmil
Crystal Structure of the ING1 PHD Finger in complex with a Histone H3K4ME3 peptide
Descriptor: H3K4ME3 PEPTIDE, Inhibitor of growth protein 1, ZINC ION
Authors:Pena, P.V, Champagne, K, Zhao, R, Kutateladze, T.G.
Deposit date:2007-07-03
Release date:2008-05-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Histone H3K4me3 binding is required for the DNA repair and apoptotic activities of ING1 tumor suppressor.
J.Mol.Biol., 380, 2008
2QK4
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BU of 2qk4 by Molmil
Human glycinamide ribonucleotide synthetase
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
Authors:Lehtio, L, Welin, M, Arrowsmith, C.H, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Herman, M.D, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2007-07-10
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural studies of tri-functional human GART.
Nucleic Acids Res., 38, 2010
2QVI
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BU of 2qvi by Molmil
Crystal structure of N-cadherin domains EC12
Descriptor: CALCIUM ION, Cadherin-2
Authors:Shapiro, L.S, Carroll, K.J.
Deposit date:2007-08-08
Release date:2008-08-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.012 Å)
Cite:Biophysical characterization of N-cadherin and E-cadherin homophilic and heterophilic interactions
To be Published
2QAG
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BU of 2qag by Molmil
Crystal structure of human septin trimer 2/6/7
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Septin-2, ...
Authors:Sirajuddin, M.
Deposit date:2007-06-15
Release date:2007-08-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structural insight into filament formation by mammalian septins.
Nature, 449, 2007
2N9E
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BU of 2n9e by Molmil
Structure of SUMO-2 bound to phosphorylated RAP80 SIM
Descriptor: BRCA1-A complex subunit RAP80, Small ubiquitin-related modifier 2
Authors:Anamika, A, Spyracopoulos, L.
Deposit date:2015-11-15
Release date:2016-01-20
Last modified:2016-03-23
Method:SOLUTION NMR
Cite:Molecular Basis for Phosphorylation-dependent SUMO Recognition by the DNA Repair Protein RAP80.
J.Biol.Chem., 291, 2016
2QTU
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BU of 2qtu by Molmil
Estrogen receptor beta ligand-binding domain complexed to a benzopyran ligand
Descriptor: (3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol, Estrogen receptor beta
Authors:Richardson, T.I, Dodge, J.A, Wang, Y, Durbin, J.D, Krishnan, V, Norman, B.H.
Deposit date:2007-08-02
Release date:2007-10-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 5: Combined A- and C-ring structure-activity relationship studies.
Bioorg.Med.Chem.Lett., 17, 2007
1NB8
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BU of 1nb8 by Molmil
Structure of the catalytic domain of USP7 (HAUSP)
Descriptor: Ubiquitin carboxyl-terminal hydrolase 7
Authors:Hu, M, Li, P, Li, M, Li, W, Yao, T, Wu, J.-W, Gu, W, Cohen, R.E, Shi, Y.
Deposit date:2002-12-02
Release date:2003-01-07
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of a UBP-family deubiquitinating enzyme in isolation and in complex with ubiquitin aldehyde
Cell(Cambridge,Mass.), 111, 2002
1N8S
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BU of 1n8s by Molmil
Structure of the pancreatic lipase-colipase complex
Descriptor: Triacylglycerol lipase, pancreatic, colipase II
Authors:van Tilbeurgh, H, Sarda, L, Verger, R, Cambillau, C.
Deposit date:2002-11-21
Release date:2002-12-18
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structure of the pancreatic lipase-procolipase complex
Nature, 359, 1992
1NDB
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BU of 1ndb by Molmil
Crystal structure of Carnitine Acetyltransferase
Descriptor: Carnitine Acetyltransferase
Authors:Jogl, G, Tong, L.
Deposit date:2002-12-09
Release date:2003-01-28
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Carnitine Acetyltransferase and Implications for the Catalytic Mechanism and Fatty Acid Transport
Cell(Cambridge,Mass.), 112, 2003
1NCI
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BU of 1nci by Molmil
STRUCTURAL BASIS OF CELL-CELL ADHESION BY CADHERINS
Descriptor: N-CADHERIN, URANYL (VI) ION
Authors:Shapiro, L, Fannon, A.M, Kwong, P.D, Thompson, A, Lehmann, M.S, Grubel, G, Legrand, J.-F, Als-Nielsen, J, Colman, D.R, Hendrickson, W.A.
Deposit date:1995-03-23
Release date:1995-07-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of cell-cell adhesion by cadherins.
Nature, 374, 1995
3RLJ
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BU of 3rlj by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-22
Descriptor: (2S)-3-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide, Androgen receptor
Authors:Bohl, C.E, Duke, C.B, Jones, A, Dalton, J.T, Miller, D.D.
Deposit date:2011-04-19
Release date:2011-05-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unexpected binding orientation of bulky-B-ring anti-androgens and implications for future drug targets.
J.Med.Chem., 54, 2011
1O6P
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BU of 1o6p by Molmil
Importin Beta bound to a GLFG Nucleoporin peptide
Descriptor: IMPORTIN BETA-1 SUBUNIT, SYNTHETIC GLFG PEPTIDE
Authors:Bayliss, R, Stewart, M.
Deposit date:2002-10-10
Release date:2003-04-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Glfg and Fxfg Nucleoporins Bind to Overlapping Sites on Importin-Beta
J.Biol.Chem., 277, 2002
1OM0
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BU of 1om0 by Molmil
crystal structure of xylanase inhibitor protein (XIP-I) from wheat
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Xylanase Inhibitor Protein I
Authors:Payan, F, Flatman, R, Porciero, S, Williamson, G, Juge, N, Roussel, A.
Deposit date:2003-02-24
Release date:2003-06-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of xylanase inhibitor protein I (XIP-I), a proteinaceous xylanase inhibitor from wheat (Triticum aestivum, var. Soisson).
Biochem.J., 372, 2003
1OPJ
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BU of 1opj by Molmil
Structural basis for the auto-inhibition of c-Abl tyrosine kinase
Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, MYRISTIC ACID, ...
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:2024-03-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for the autoinhibition of c-Abl tyrosine kinase
Cell(Cambridge,Mass.), 112, 2003
1OPY
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BU of 1opy by Molmil
KSI
Descriptor: DELTA5-3-KETOSTEROID IOSMERASE
Authors:Kim, S.-W, Cha, S.-S, Cho, H.-S, Kim, J.-S, Ha, N.-C, Cho, M.-J, Choi, K.-Y, Oh, B.-H.
Deposit date:1997-05-23
Release date:1998-04-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-resolution crystal structures of delta5-3-ketosteroid isomerase with and without a reaction intermediate analogue.
Biochemistry, 36, 1997
1PA9
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BU of 1pa9 by Molmil
Yersinia Protein-Tyrosine Phosphatase complexed with pNCS (Yop51,Pasteurella X,Ptpase,Yop51delta162) (Catalytic Domain, Residues 163-468) Mutant With Cys 235 Replaced By Arg (C235r)
Descriptor: N,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUM, Protein-tyrosine phosphatase yopH
Authors:Sun, J.P, Wu, L, Fedorov, A.A, Almo, S.C, Zhang, Z.Y.
Deposit date:2003-05-13
Release date:2003-11-04
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the Yersinia protein-tyrosine phosphatase YopH complexed with a specific small molecule inhibitor
J.BIOL.CHEM., 278, 2003
1OTF
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BU of 1otf by Molmil
4-OXALOCROTONATE TAUTOMERASE-TRICLINIC CRYSTAL FORM
Descriptor: 4-OXALOCROTONATE TAUTOMERASE
Authors:Subramanya, H.S, Roper, D.I, Dauter, Z, Dodson, E.J, Davies, G.J, Wilson, K.S, Wigley, D.B.
Deposit date:1995-11-09
Release date:1996-04-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Enzymatic ketonization of 2-hydroxymuconate: specificity and mechanism investigated by the crystal structures of two isomerases.
Biochemistry, 35, 1996

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