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2XQN
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BU of 2xqn by Molmil
Complex of the 2nd and 3rd LIM domains of TES with the EVH1 DOMAIN of MENA and the N-Terminal domain of actin-like protein Arp7A
Descriptor: ACTIN-LIKE PROTEIN 7A, ENABLED HOMOLOG, TESTIN, ...
Authors:Knowles, P.P, Briggs, D.C, Murray-Rust, J, McDonald, N.Q.
Deposit date:2010-09-03
Release date:2011-01-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Molecular recognition of the Tes LIM2-3 domains by the actin-related protein Arp7A.
J. Biol. Chem., 286, 2011
6H4D
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BU of 6h4d by Molmil
Crystal structure of RsgA from Pseudomonas aeruginosa
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Small ribosomal subunit biogenesis GTPase RsgA, ZINC ION
Authors:Rocchio, S, Santorelli, D, Travaglini-Allocatelli, C, Federici, L, Di Matteo, A.
Deposit date:2018-07-20
Release date:2019-06-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and functional investigation of the Small Ribosomal Subunit Biogenesis GTPase A (RsgA) from Pseudomonas aeruginosa.
Febs J., 286, 2019
1N5D
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BU of 1n5d by Molmil
CRYSTAL STRUCTURE OF PORCINE TESTICULAR CARBONYL REDUCTASE/ 20BETA-HYDROXYSTEROID DEHYDROGENASE
Descriptor: CARBONYL REDUCTASE/20BETA-HYDROXYSTEROID DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION
Authors:Ghosh, D.
Deposit date:2002-11-05
Release date:2002-11-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Porcine Carbonyl Reductase: Structural Basis for a Functional Monomer in Short-Chain Dehydrogenases/Reductases
J.Biol.Chem., 276, 2001
3DTX
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BU of 3dtx by Molmil
Crystal structure of HLA-B*2705 complexed with the double citrullinated vasoactive intestinal peptide type 1 receptor (VIPR) peptide (residues 400-408)
Descriptor: Beta-2-microglobulin, Double citrullinated vasoactive intestinal polypeptide receptor, MHC class I antigen (Fragment)
Authors:Beltrami, A, Gabdulkhakov, A, Rossmann, M, Ziegler, A, Uchanska-Ziegler, B, Saenger, W.
Deposit date:2008-07-16
Release date:2009-05-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Citrullination-and mhc polymorphism-dependent conformational changes of a self peptide
To be Published
3HCV
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BU of 3hcv by Molmil
Crystal structure of HLA-B*2709 complexed with the double citrullinated vasoactive intestinal peptide type 1 receptor (VIPR) peptide (residues 400-408)
Descriptor: Beta-2-microglobulin, DOUBLE CITRULLINATED VASOACTIVE INTESTINAL POLYPEPTIDE RECEPTOR, HLA class I histocompatibility antigen, ...
Authors:Beltrami, A, Gabdulkhakov, A, Rossmann, M, Ziegler, A, Uchanska-Ziegler, B, Saenger, W.
Deposit date:2009-05-06
Release date:2009-06-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Citrullination-and mhc polymorphism-dependent conformational changes of a self peptide
To be Published
2CBM
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BU of 2cbm by Molmil
Crystal structure of the apo-form of a neocarzinostatin mutant evolved to bind testosterone.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, NEOCARZINOSTATIN
Authors:Drevelle, A, Graille, M, Heyd, B, Sorel, I, Ulryck, N, Pecorari, F, Desmadril, M, Van Tilbeurgh, H, Minard, P.
Deposit date:2006-01-06
Release date:2006-03-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structures of in Vitro Evolved Binding Sites on Neocarzinostatin Scaffold Reveal Unanticipated Evolutionary Pathways.
J.Mol.Biol., 358, 2006
5KYJ
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BU of 5kyj by Molmil
Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core
Descriptor: (6~{R})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole, Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta
Authors:Chen, G, McKeever, B.M.
Deposit date:2016-07-21
Release date:2016-09-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core.
Bioorg.Med.Chem.Lett., 26, 2016
2WQ1
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BU of 2wq1 by Molmil
GCN4 leucine zipper mutant with three IxxNTxx motifs coordinating bromide
Descriptor: BROMIDE ION, GENERAL CONTROL PROTEIN GCN4
Authors:Hartmann, M.D, Hernandez Alvarez, B, Lupas, A.N.
Deposit date:2009-08-12
Release date:2009-11-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:A Coiled-Coil Motif that Sequesters Ions to the Hydrophobic Core.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WQ3
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BU of 2wq3 by Molmil
GCN4 leucine zipper mutant with three IxxNTxx motifs coordinating chloride and nitrate
Descriptor: CHLORIDE ION, GENERAL CONTROL PROTEIN GCN4, NITRATE ION
Authors:Hartmann, M.D, Hernandez Alvarez, B, Lupas, A.N.
Deposit date:2009-08-12
Release date:2009-11-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:A Coiled-Coil Motif that Sequesters Ions to the Hydrophobic Core.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WQ2
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BU of 2wq2 by Molmil
GCN4 leucine zipper mutant with three IxxNTxx motifs coordinating iodide
Descriptor: GENERAL CONTROL PROTEIN GCN4, IODIDE ION
Authors:Hartmann, M.D, Hernandez Alvarez, B, Lupas, A.N.
Deposit date:2009-08-12
Release date:2009-11-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:A Coiled-Coil Motif that Sequesters Ions to the Hydrophobic Core.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WPR
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BU of 2wpr by Molmil
Salmonella enterica SadA 483-523 fused to GCN4 adaptors (SadAK3b-V1, out-of-register fusion)
Descriptor: CHLORIDE ION, TRIMERIC AUTOTRANSPORTER ADHESIN FRAGMENT
Authors:Hartmann, M.D, Ridderbusch, O, Lupas, A.N, Hernandez Alvarez, B.
Deposit date:2009-08-09
Release date:2009-11-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:A Coiled-Coil Motif that Sequesters Ions to the Hydrophobic Core.
Proc.Natl.Acad.Sci.USA, 106, 2009
3HY8
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BU of 3hy8 by Molmil
Crystal Structure of Human Pyridoxine 5'-Phosphate Oxidase R229W Mutant
Descriptor: FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Safo, M.K, Musayev, F.N, Di Salvo, M.L, Saavedra, M.K, Schirch, V.
Deposit date:2009-06-22
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular basis of reduced pyridoxine 5'-phosphate oxidase catalytic activity in neonatal epileptic encephalopathy disorder
J.Biol.Chem., 284, 2009
3I1U
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BU of 3i1u by Molmil
Carboxypeptidase A Inhibited by a Thiirane Mechanism-Based inactivator
Descriptor: (2S,3R)-2-benzyl-3-sulfanylbutanoic acid, Carboxypeptidase A1 (Pancreatic), GLYCEROL, ...
Authors:Fernandez, D.
Deposit date:2009-06-28
Release date:2009-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.391 Å)
Cite:The X-ray structure of carboxypeptidase A inhibited by a thiirane mechanism-based inhibitor
Chem.Biol.Drug Des., 75, 2010
2WPZ
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BU of 2wpz by Molmil
GCN4 leucine zipper mutant with two VxxNxxx motifs coordinating chloride
Descriptor: CHLORIDE ION, GENERAL CONTROL PROTEIN GCN4
Authors:Zeth, K, Hartmann, M.D, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B.
Deposit date:2009-08-12
Release date:2009-11-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A Coiled-Coil Motif that Sequesters Ions to the Hydrophobic Core.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WPQ
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BU of 2wpq by Molmil
Salmonella enterica SadA 479-519 fused to GCN4 adaptors (SadAK3, in- register fusion)
Descriptor: CHLORIDE ION, NITRATE ION, TRIMERIC AUTOTRANSPORTER ADHESIN FRAGMENT
Authors:Hartmann, M.D, Hernandez Alvarez, B, Albrecht, R, Zeth, K, Lupas, A.N.
Deposit date:2009-08-09
Release date:2009-11-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Coiled-Coil Motif that Sequesters Ions to the Hydrophobic Core.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WQ0
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BU of 2wq0 by Molmil
GCN4 leucine zipper mutant with three IxxNTxx motifs coordinating chloride
Descriptor: CHLORIDE ION, GENERAL CONTROL PROTEIN GCN4
Authors:Hartmann, M.D, Hernandez Alvarez, B, Lupas, A.N.
Deposit date:2009-08-12
Release date:2009-11-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:A Coiled-Coil Motif that Sequesters Ions to the Hydrophobic Core.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WPS
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BU of 2wps by Molmil
Salmonella enterica SadA 483-523 fused to GCN4 adaptors (SadAK3b-V2, out-of-register fusion)
Descriptor: CHLORIDE ION, TRIMERIC AUTOTRANSPORTER ADHESIN FRAGMENT
Authors:Hartmann, M.D, Ridderbusch, O, Lupas, A.N, Hernandez Alvarez, B.
Deposit date:2009-08-09
Release date:2009-11-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Coiled-Coil Motif that Sequesters Ions to the Hydrophobic Core.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WPY
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BU of 2wpy by Molmil
GCN4 leucine zipper mutant with one VxxNxxx motif coordinating chloride
Descriptor: CHLORIDE ION, GENERAL CONTROL PROTEIN GCN4
Authors:Zeth, K, Hartmann, M.D, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B.
Deposit date:2009-08-12
Release date:2009-11-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A Coiled-Coil Motif that Sequesters Ions to the Hydrophobic Core.
Proc.Natl.Acad.Sci.USA, 106, 2009
1JL5
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BU of 1jl5 by Molmil
Novel Molecular Architecture of YopM-a Leucine-rich Effector Protein from Yersinia pestis
Descriptor: CALCIUM ION, outer protein YopM
Authors:Evdokimov, A.G, Anderson, D.E, Routzahn, K.M, Waugh, D.S.
Deposit date:2001-07-15
Release date:2001-10-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Unusual molecular architecture of the Yersinia pestis cytotoxin YopM: a leucine-rich repeat protein with the shortest repeating unit.
J.Mol.Biol., 312, 2001
1IOP
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BU of 1iop by Molmil
INCORPORATION OF A HEMIN WITH THE SHORTEST ACID SIDE-CHAINS INTO MYOGLOBIN
Descriptor: 6,7-DICARBOXYL-1,2,3,4,5,8-HEXAMETHYLHEMIN, CYANIDE ION, MYOGLOBIN, ...
Authors:Igarashi, N, Neya, S, Funasaki, N, Tanaka, N.
Deposit date:1997-12-12
Release date:1998-04-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and function of 6,7-dicarboxyheme-substituted myoglobin
Biochemistry, 37, 1998
3G8M
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BU of 3g8m by Molmil
Serine Hydroxymethyltransferase Y55F Mutant
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Serine hydroxymethyltransferase
Authors:Angelucci, F, Ilari, A.
Deposit date:2009-02-12
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Role of a conserved active site cation-pi interaction in Escherichia coli serine hydroxymethyltransferase.
Biochemistry, 48, 2009
3F8N
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BU of 3f8n by Molmil
Crystal structure of PerR-Zn-Mn
Descriptor: MANGANESE (II) ION, Peroxide operon regulator, ZINC ION
Authors:Traore, D.A.K, Ferrer, J.-L, Jacquamet, L, Duarte, V, Latour, J.-M.
Deposit date:2008-11-13
Release date:2009-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural characterization of the active form of PerR: insights into the metal-induced activation of PerR and Fur proteins for DNA binding
Mol.Microbiol., 73, 2009
3GSB
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BU of 3gsb by Molmil
CRYSTAL STRUCTURE OF GLUTAMATE-1-SEMIALDEHYDE AMINOMUTASE IN COMPLEX WITH GABACULINE
Descriptor: 3-AMINOBENZOIC ACID, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, PROTEIN (GLUTAMATE SEMIALDEHYDE AMINOTRANSFERASE)
Authors:Hennig, M, Jansonius, J.N.
Deposit date:1998-06-26
Release date:1999-08-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of glutamate-1-semialdehyde aminomutase: an alpha2-dimeric vitamin B6-dependent enzyme with asymmetry in structure and active site reactivity.
Proc.Natl.Acad.Sci.USA, 94, 1997
2YHD
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BU of 2yhd by Molmil
Human androgen receptor in complex with AF2 small molecule inhibitor
Descriptor: 4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,2-diol, ANDROGEN RECEPTOR, SULFATE ION, ...
Authors:AxerioCilies, P, Lack, N.A, ShashiNayana, M.R, Chan, K.H, Yeung, A, LeBlanc, E, Guns, E, Rennie, P, Cherkasov, A.
Deposit date:2011-04-28
Release date:2011-09-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inhibitors of Androgen Receptor Activation Function-2 (Af2) Site Identified Through Virtual Screening.
J.Med.Chem., 54, 2011
2YLO
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BU of 2ylo by Molmil
TARGETING THE BINDING FUNCTION 3 SITE OF THE ANDROGEN RECEPTOR THROUGH IN SILICO MOLECULAR MODELING
Descriptor: 1-[2-(4-METHYLPHENOXY)ETHYL]-2-(2-PHENOXYETHYLSULFANYL)BENZIMIDAZOLE, ANDROGEN RECEPTOR, SULFATE ION, ...
Authors:Lack, N.A, Axerio, P, Tavassoli, P, Kuchenbecker, K, Han, F.Q, Chan, K.H, Feau, C, LeBlanc, E, Tomlinson, E, Guy, R.K, Rennie, P.S, Cherkasov, A.
Deposit date:2011-06-04
Release date:2011-07-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Targeting the Binding Function 3 (Bf3) Site of the Human Androgen Receptor Through Virtual Screening.
J.Med.Chem., 54, 2011

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