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1M1A
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BU of 1m1a by Molmil
LIGAND BINDING ALTERS THE STRUCTURE AND DYNAMICS OF NUCLEOSOMAL DNA
Descriptor: 3-AMINO-(DIMETHYLPROPYLAMINE), 4-AMINO-(1-METHYLIMIDAZOLE)-2-CARBOXYLIC ACID, 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID, ...
Authors:Suto, R.K, Edayathumangalam, R.S, White, C.L, Melander, C, Gottesfeld, J.M, Dervan, P.B, Luger, K.
Deposit date:2002-06-18
Release date:2003-02-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal Structures of Nucleosome Core Particles in Complex with Minor Groove DNA-binding Ligands
J.MOL.BIOL., 326, 2003
1Q10
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BU of 1q10 by Molmil
Ensemble of 40 Structures of the Dimeric Mutant of the B1 Domain of Streptococcal Protein G
Descriptor: Immunoglobulin G binding protein G
Authors:Byeon, I.J, Louis, J.M, Gronenborn, A.M.
Deposit date:2003-07-18
Release date:2003-10-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A Protein Contortionist: Core Mutations of GB1 that Induce Dimerization and Domain Swapping
J.Mol.Biol., 333, 2003
2GC2
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BU of 2gc2 by Molmil
The crystal structure of phosphoglucose isomerase from Pyrococcus furiosus in complex with Fructose 6-phosphate and zinc
Descriptor: FRUCTOSE -6-PHOSPHATE, Glucose-6-phosphate isomerase, ZINC ION
Authors:Berrisford, J.M, Rice, D.W, Baker, P.J.
Deposit date:2006-03-13
Release date:2006-04-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Evidence Supporting a cis-enediol-based Mechanism for Pyrococcus furiosus Phosphoglucose Isomerase
J.Mol.Biol., 358, 2006
2GF5
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BU of 2gf5 by Molmil
Structure of intact FADD (MORT1)
Descriptor: FADD protein
Authors:Carrington, P.E, Sandu, C, Wei, Y, Hill, J.M, Morisawa, G, Huang, T, Gavathiotis, E, Wei, Y, Werner, M.H.
Deposit date:2006-03-21
Release date:2006-06-27
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The Structure of FADD and Its Mode of Interaction with Procaspase-8
Mol.Cell, 22, 2006
1PXE
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BU of 1pxe by Molmil
Solution Structure of a CCHHC Domain of Neural Zinc Finger Factor-1
Descriptor: ZINC ION, neural zinc finger transcription factor 1
Authors:Berkovits-Cymet, H.J, Amann, B.T, Berg, J.M.
Deposit date:2003-07-03
Release date:2004-02-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Structure of a CCHHC Domain of Neural Zinc Finger Factor-1 and Its Implications for DNA Binding.
Biochemistry, 43, 2004
2GJS
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BU of 2gjs by Molmil
The crystal structure of human RRAD in complex with GDP
Descriptor: GTP-binding protein RAD, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Turnbull, A.P, Yang, X, Soundararajan, M, Schoch, G, Debreczeni, J, Elkins, J.M, Gileadi, C, Berridge, G, Pantic, N, Burgess, N, Smee, C.E.A, Bray, J, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC)
Deposit date:2006-03-31
Release date:2006-04-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of human RRAD in complex with GDP
To be Published
2JEQ
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BU of 2jeq by Molmil
Family 5 xyloglucanase from Paenibacillus pabuli in complex with ligand
Descriptor: XYLOGLUCANASE, beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[beta-D-galactopyranose-(1-2)-alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Gloster, T.M, Ibatullin, F.M, Macauley, K, Eklof, J.M, Roberts, S, Turkenburg, J.P, Bjornvad, M.E, Jorgensen, P.L, Danielsen, S, Johansen, K, Borchert, T.V, Wilson, K.S, Brumer, H, Davies, G.J.
Deposit date:2007-01-18
Release date:2007-03-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Characterization and Three-Dimensional Structures of Two Distinct Bacterial Xyloglucanases from Families Gh5 and Gh12.
J.Biol.Chem., 282, 2007
1Q5H
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BU of 1q5h by Molmil
Human dUTP Pyrophosphatase complex with dUDP
Descriptor: DEOXYURIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, dUTP pyrophosphatase
Authors:Mol, C.D, Harris, J.M, McIntosh, E.M, Tainer, J.A.
Deposit date:2003-08-07
Release date:2003-08-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human dUTP pyrophosphatase: uracil recognition by a Beta hairpin and active sites formed by three separate subunits
Structure, 4, 1996
2JBX
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BU of 2jbx by Molmil
Crystal Structure of the myxoma virus anti-apoptotic protein M11L
Descriptor: M11L PROTEIN
Authors:Kvansakul, M, Van Delft, M.F, Lee, E.F, Gulbis, J.M, Fairlie, W.D, Huang, D.C.S, Colman, P.M.
Deposit date:2006-12-14
Release date:2007-03-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:A Structural Viral Mimic of Prosurvival Bcl-2: A Pivotal Role for Sequestering Proapoptotic Bax and Bak.
Mol.Cell, 25, 2007
2JAB
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BU of 2jab by Molmil
A designed ankyrin repeat protein evolved to picomolar affinity to Her2
Descriptor: H10-2-G3
Authors:Zahnd, C, Wyler, E, Schwenk, J.M, Steiner, D, Lawrence, M.C, McKern, N.M, Pecorari, F, Ward, C.W, Joos, T.O, Pluckthun, A.
Deposit date:2006-11-27
Release date:2007-05-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Designed Ankyrin Repeat Protein Evolved to Picomolar Affinity to Her2
J.Mol.Biol., 369, 2007
2JHP
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BU of 2jhp by Molmil
The structure of bluetongue virus VP4 reveals a multifunctional RNA- capping production-line
Descriptor: GUANINE, S-ADENOSYL-L-HOMOCYSTEINE, VP4 CORE PROTEIN
Authors:Sutton, G, Grimes, J.M, Stuart, D.I, Roy, P.
Deposit date:2007-02-23
Release date:2007-04-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Bluetongue Virus Vp4 is an RNA-Capping Assembly Line.
Nat.Struct.Mol.Biol., 14, 2007
1MX0
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BU of 1mx0 by Molmil
Structure of topoisomerase subunit
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SODIUM ION, ...
Authors:Corbett, K.D, Berger, J.M.
Deposit date:2002-10-01
Release date:2003-01-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the topoisomerase VI-B subunit: implications for type II topoisomerase mechanism and evolution
Embo J., 22, 2003
2JED
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BU of 2jed by Molmil
The crystal structure of the kinase domain of the protein kinase C theta in complex with NVP-XAA228 at 2.32A resolution.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-(8-DIMETHYLAMINOMETHYL-6,7,8,9-TETRAHYDRO-PYRIDO[1,2-A]INDOL-10-YL)-4-(1-METHYL-1H-INDOL-3-YL)-PYRROLE-2,5-DIONE, PROTEIN KINASE C THETA
Authors:Stark, W, Bitsch, F, Berner, A, Buelens, F, Graff, P, Depersin, H, Geiser, M, Knecht, R, Rahuel, J, Rummel, G, Schlaeppi, J.M, Schmitz, R, Strauss, A, Wagner, J.
Deposit date:2007-01-16
Release date:2008-02-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:The Crystal Structure of the Kinase Domain of the Protein Kinase C Theta in Complex with Nvp-Xaa228
To be Published
1MUQ
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BU of 1muq by Molmil
X-ray Crystal Structure of Rattlesnake Venom Complexed With Thiodigalactoside
Descriptor: 1-thio-beta-D-galactopyranose-(1-1)-beta-D-galactopyranose, CALCIUM ION, Galactose-specific lectin, ...
Authors:Walker, J.R, Nagar, B, Young, N.M, Hirama, T, Rini, J.M.
Deposit date:2002-09-24
Release date:2003-07-01
Last modified:2020-10-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:X-ray Crystal Structure of a Galactose-Specific C-Type Lectin Possessing a Novel Decameric Quaternary Structure.
Biochemistry, 43, 2004
2HBQ
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BU of 2hbq by Molmil
Crystal structure of wildtype human caspase-1 in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
Authors:Scheer, J.M, Wells, J.A, Romanowski, M.J.
Deposit date:2006-06-14
Release date:2006-06-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Common Allosteric Site and Mechanism in Caspases
Proc.Natl.Acad.Sci.USA, 103, 2006
2H72
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BU of 2h72 by Molmil
Crystal Structure of Thioredoxin mutant E85D in Hexagonal (p61) Space Group
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Thioredoxin
Authors:Gavira, J.A, Godoy-Ruiz, R, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
Deposit date:2006-06-01
Release date:2007-05-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of Thioredoxin mutant E85D in Hexagonal (p61) Space Group
To be Published
2GMR
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BU of 2gmr by Molmil
Photosynthetic reaction center mutant from Rhodobacter sphaeroides with Asp L210 replaced with Asn
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (II) ION, ...
Authors:Stachnik, J.M, Hermes, S, Gerwert, K, Hofmann, E.
Deposit date:2006-04-07
Release date:2006-11-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Proton uptake in the reaction center mutant L210DN from Rhodobacter sphaeroides via protonated water molecules.
Biochemistry, 45, 2006
1NTL
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BU of 1ntl by Molmil
Model of mouse Crry-Ig determined by solution scattering, curve fitting and homology modelling
Descriptor: Complement component receptor 1-like protein,Ig gamma-1 chain C region secreted form
Authors:Aslam, M, Guthridge, J.M, Hack, B.K, Quigg, R.J, Holers, V.M, Perkins, S.J.
Deposit date:2003-01-30
Release date:2004-02-03
Last modified:2024-02-14
Method:SOLUTION SCATTERING (30 Å)
Cite:The extended multidomain solution structures of the complement protein Crry and its chimaeric conjugate Crry-Ig by scattering, analytical ultracentrifugation and constrained modelling: implications for function and therapy
J.Mol.Biol., 329, 2003
2GU8
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BU of 2gu8 by Molmil
Discovery of 2-Pyrimidyl-5-Amidothiophenes as Novel and Potent Inhibitors for AKT: Synthesis and SAR Studies
Descriptor: CAMP-dependent protein kinase, alpha-catalytic subunit, N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE, ...
Authors:Murray, J.M.
Deposit date:2006-04-28
Release date:2007-05-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of 2-pyrimidyl-5-amidothiophenes as potent inhibitors for AKT: synthesis and SAR studies
Bioorg.Med.Chem.Lett., 16, 2006
2GL0
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BU of 2gl0 by Molmil
Structure of PAE2307 in complex with adenosine
Descriptor: ADENOSINE, PHOSPHATE ION, conserved hypothetical protein
Authors:Lott, J.S, Paget, B, Johnston, J.M, Baker, E.N.
Deposit date:2006-04-04
Release date:2006-06-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The Structure of an Ancient Conserved Domain Establishes a Structural Basis for Stable Histidine Phosphorylation and Identifies a New Family of Adenosine-specific Kinases.
J.Biol.Chem., 281, 2006
1NZ7
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BU of 1nz7 by Molmil
POTENT, SELECTIVE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B USING A SECOND PHOSPHOTYROSINE BINDING SITE, complexed with compound 19.
Descriptor: 2-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-3-METHYLSULFANYL-PROPYLCARBAMOYL)-BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-PHENYL)-OXALYL-AM INO]-BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1
Authors:Xin, Z, Oost, T.K, Abad-Zapatero, C, Hajduk, P.J, Pei, Z, Szczepankiewicz, B.G, Hutchins, C.W, Ballaron, S.J, Stashko, M.A, Lubben, T, Trevillyan, J.M, Jirousek, M.R, Liu, G.
Deposit date:2003-02-16
Release date:2003-05-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Potent, Selective Inhibitors of Protein Tyrosine Phosphatase 1B
BIOORG.MED.CHEM.LETT., 13, 2003
2H48
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BU of 2h48 by Molmil
Crystal structure of human caspase-1 (Cys362->Ala, Cys364->Ala, Cys397->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Descriptor: Caspase 1, isoform gamma, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
Authors:Scheer, J.M, Wells, J.A, Romanowski, M.J.
Deposit date:2006-05-23
Release date:2006-06-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A common allosteric site and mechanism in caspases
Proc.Natl.Acad.Sci.USA, 103, 2006
2H54
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BU of 2h54 by Molmil
Crystal structure of human caspase-1 (Thr388->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
Authors:Scheer, J.M, Wells, J.A, Romanowski, M.J.
Deposit date:2006-05-25
Release date:2008-03-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An allosteric circuit in caspase-1.
J.Mol.Biol., 381, 2008
2K42
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BU of 2k42 by Molmil
Solution Structure of the GTPase Binding Domain of WASP in Complex with EspFU, an EHEC Effector
Descriptor: ESPFU, Wiskott-Aldrich syndrome protein
Authors:Cheng, H.-C, Skehan, B.M, Campellone, K.G, Leong, J.M, Rosen, M.K.
Deposit date:2008-05-27
Release date:2008-07-22
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural mechanism of WASP activation by the enterohaemorrhagic E. coli effector EspF(U).
Nature, 454, 2008
2JYD
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BU of 2jyd by Molmil
Structure of the fifth zinc finger of Myelin Transcription Factor 1
Descriptor: F5 domain of Myelin transcription factor 1, ZINC ION
Authors:Gamsjaeger, R, Swanton, M.K, Kobus, F.J, Lehtomaki, E, Lowry, J.A, Kwan, A.H, Matthews, J.M, Mackay, J.P.
Deposit date:2007-12-12
Release date:2008-01-15
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural and biophysical analysis of the DNA binding properties of myelin transcription factor 1.
J.Biol.Chem., 283, 2008

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