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4FK3
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BU of 4fk3 by Molmil
B-Raf Kinase V600E Oncogenic Mutant in Complex with PLX3203
Descriptor: N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide, Serine/threonine-protein kinase B-raf
Authors:Zhang, Y, Wang, W, Zhang, K.Y.J.
Deposit date:2012-06-12
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity.
Proc.Natl.Acad.Sci.USA, 105, 2008
4F87
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X-ray Crystal Structure of PlyCB
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, PlyCB
Authors:McGowan, S, Buckle, A.M, Fischetti, V.A, Nelson, D.C, Whisstock, J.C.
Deposit date:2012-05-17
Release date:2012-07-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-ray crystal structure of the streptococcal specific phage lysin PlyC.
Proc.Natl.Acad.Sci.USA, 109, 2012
3BLK
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BU of 3blk by Molmil
Role of aromatic residues in starch binding
Descriptor: 4-amino-4,6-dideoxy-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 5-HYDROXYMETHYL-CHONDURITOL, Alpha-amylase 1, ...
Authors:Ramasubbu, N.
Deposit date:2007-12-11
Release date:2008-11-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-function relationships in human salivary alpha-amylase: role of aromatic residues in a secondary binding site
Biologia, 63, 2008
4FKD
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BU of 4fkd by Molmil
Identification of the Activator Binding Residues in the Second Cysteine-Rich Regulatory Domain of Protein Kinase C Theta
Descriptor: Protein kinase C theta type, ZINC ION
Authors:Rahman, G.M, Shanker, S, Lewin, N.E, Prasad, B.V.V, Blumberg, P.M, Das, J.
Deposit date:2012-06-13
Release date:2013-01-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.633 Å)
Cite:Identification of the Activator Binding Residues in the Second Cysteine-Rich Regulatory Domain of Protein Kinase C Theta.
Biochem.J., 451, 2013
4FKM
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BU of 4fkm by Molmil
Structure of unliganded and reductively methylated FhuD2 from staphylococcus aureus
Descriptor: Similar to ferric hydroxamate receptor 1
Authors:Podkowa, K.J, Heinrichs, D.E, Shilton, B.H.
Deposit date:2012-06-13
Release date:2013-06-19
Last modified:2014-06-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal and solution structure analysis of FhuD2 from Staphylococcus aureus in multiple unliganded conformations and bound to ferrioxamine-B.
Biochemistry, 53, 2014
3BPV
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BU of 3bpv by Molmil
Crystal Structure of MarR
Descriptor: Transcriptional regulator
Authors:Saridakis, V, Shahinas, D, Xu, X, Christendat, D.
Deposit date:2007-12-19
Release date:2008-05-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural insight on the mechanism of regulation of the MarR family of proteins: high-resolution crystal structure of a transcriptional repressor from Methanobacterium thermoautotrophicum.
J.Mol.Biol., 377, 2008
3BLY
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BU of 3bly by Molmil
Pyranose 2-oxidase from Trametes multicolor, E542K/L537W
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Pyranose oxidase
Authors:Tan, T.C, Divne, C.
Deposit date:2007-12-11
Release date:2008-12-02
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Improving thermostability and catalytic activity of pyranose 2-oxidase from Trametes multicolor by rational and semi-rational design
Febs J., 276, 2009
4FLG
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BU of 4flg by Molmil
HIV-1 protease mutant I47V complexed with reaction intermediate
Descriptor: CHLORIDE ION, GLUTAMIC ACID, GLYCEROL, ...
Authors:Yu, X, Shen, C.H, Weber, I.T.
Deposit date:2012-06-14
Release date:2012-10-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Capturing the Reaction Pathway in Near-Atomic-Resolution Crystal Structures of HIV-1 Protease.
Biochemistry, 51, 2012
3BQL
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BU of 3bql by Molmil
Structure of a chondroitin sulphate binding DBL3X domain from a var2csa encoded PfEMP1 protein
Descriptor: Erythrocyte membrane protein 1, GLYCEROL, SULFATE ION
Authors:Higgins, M.K.
Deposit date:2007-12-20
Release date:2008-06-24
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure of a chondroitin sulfate-binding domain important in placental malaria.
J.Biol.Chem., 283, 2008
4F8K
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BU of 4f8k by Molmil
Molecular analysis of the interaction between the prostacyclin receptor and the first PDZ domain of PDZK1
Descriptor: Na(+)/H(+) exchange regulatory cofactor NHE-RF3, Prostacyclin receptor
Authors:Kocher, O, Birrane, G, Kinsella, B.T, Mulvaney, E.P.
Deposit date:2012-05-17
Release date:2013-02-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Analysis of the Prostacyclin Receptor's Interaction with the PDZ1 Domain of Its Adaptor Protein PDZK1.
Plos One, 8, 2013
3BMW
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BU of 3bmw by Molmil
Cyclodextrin glycosyl transferase from Thermoanerobacterium thermosulfurigenes EM1 mutant S77P complexed with a maltoheptaose inhibitor
Descriptor: 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Rozeboom, H.J, van Oosterwijk, N, Dijkstra, B.W.
Deposit date:2007-12-13
Release date:2008-05-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Elimination of competing hydrolysis and coupling side reactions of a cyclodextrin glucanotransferase by directed evolution.
Biochem.J., 413, 2008
3BR0
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BU of 3br0 by Molmil
Crystal Structure of the Complex of Malachite Green Bound to QacR(E120Q), a Mutant of a Multidrug Binding Transcriptional Repressor
Descriptor: HTH-type transcriptional regulator qacR, IMIDAZOLE, MALACHITE GREEN, ...
Authors:Brooks, B.E.
Deposit date:2007-12-20
Release date:2008-12-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Formal electrostatic interactions do not govern QacR-cation affinity
To be Published
4FLQ
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BU of 4flq by Molmil
Crystal structure of Amylosucrase double mutant A289P-F290I from Neisseria polysaccharea.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Amylosucrase, GLYCEROL, ...
Authors:Guerin, F, Champion, E, Moulis, C, Barbe, S, Tran, T.H, Morel, S, Descroix, K, Monsan, P, Mulard, L.A, Remaud-Simeon, M, Andre, I, Mourey, L, Tranier, S.
Deposit date:2012-06-15
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Applying pairwise combinations of amino Acid mutations for sorting out highly efficient glucosylation tools for chemo-enzymatic synthesis of bacterial oligosaccharides.
J.Am.Chem.Soc., 134, 2012
4FM2
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BU of 4fm2 by Molmil
Pyrococcus abyssi B family DNA polymerase (triple mutant) bound to a dsDNA, in edition mode
Descriptor: DNA polymerase 1, GLYCEROL, MAGNESIUM ION, ...
Authors:Gouge, J, Delarue, M.
Deposit date:2012-06-15
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular Recognition of Canonical and Deaminated Bases by P. abyssi Family B DNA Polymerase.
J.Mol.Biol., 423, 2012
3BNF
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BU of 3bnf by Molmil
W. succinogenes NrfA Sulfite Complex
Descriptor: ACETATE ION, CALCIUM ION, Cytochrome c-552, ...
Authors:Lukat, P, Einsle, O.
Deposit date:2007-12-14
Release date:2008-02-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Binding and Reduction of Sulfite by Cytochrome c Nitrite Reductase
Biochemistry, 47, 2008
4F91
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BU of 4f91 by Molmil
Brr2 Helicase Region
Descriptor: U5 small nuclear ribonucleoprotein 200 kDa helicase
Authors:Santos, K.F, Jovin, S.M, Weber, G, Pena, V, Luehrmann, R, Wahl, M.C.
Deposit date:2012-05-18
Release date:2012-10-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.697 Å)
Cite:Structural basis for functional cooperation between tandem helicase cassettes in Brr2-mediated remodeling of the spliceosome.
Proc.Natl.Acad.Sci.USA, 109, 2012
4FA7
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BU of 4fa7 by Molmil
Structure of Recombinant Cytochrome ba3 Oxidase mutant A204F from Thermus thermophilus
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ...
Authors:Li, Y, Chen, Y, Stout, C.D.
Deposit date:2012-05-21
Release date:2012-05-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:

3BRY
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BU of 3bry by Molmil
Crystal structure of the Ralstonia pickettii toluene transporter TbuX
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, TbuX
Authors:Hearn, E.M, Patel, D.R, van den Berg, B.
Deposit date:2007-12-21
Release date:2008-06-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Outer-membrane transport of aromatic hydrocarbons as a first step in biodegradation.
Proc.Natl.Acad.Sci.Usa, 105, 2008
4FMK
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BU of 4fmk by Molmil
Crystal structure of mouse nectin-2 extracellular fragment D1-D2
Descriptor: CADMIUM ION, Poliovirus receptor-related protein 2, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Harrison, O.J, Brasch, J, Shapiro, L.
Deposit date:2012-06-17
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Nectin ectodomain structures reveal a canonical adhesive interface.
Nat.Struct.Mol.Biol., 19, 2012
4FMN
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BU of 4fmn by Molmil
Structure of the C-terminal domain of the Saccharomyces cerevisiae MUTL alpha (MLH1/PMS1) heterodimer bound to a fragment of NTG2
Descriptor: 1,2-ETHANEDIOL, DNA mismatch repair protein MLH1, DNA mismatch repair protein PMS1, ...
Authors:Gueneau, E, Legrand, P, Charbonnier, J.B.
Deposit date:2012-06-18
Release date:2013-02-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structure of the MutL alpha C-terminal domain reveals how Mlh1 contributes to Pms1 endonuclease site.
Nat.Struct.Mol.Biol., 20, 2013
3BT3
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BU of 3bt3 by Molmil
Crystal structure of a glyoxalase-related enzyme from Clostridium phytofermentans
Descriptor: Glyoxalase-related enzyme, AraC type
Authors:Rao, K.N, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-12-27
Release date:2008-03-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a glyoxalase-related enzyme from Clostridium phytofermentans.
To be Published
3V6O
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BU of 3v6o by Molmil
Leptin Receptor-antibody complex
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Carpenter, B, Hemsworth, G.R, Ross, R.J, Artymiuk, P.J.
Deposit date:2011-12-20
Release date:2012-03-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of the human obesity receptor leptin-binding domain reveals the mechanism of leptin antagonism by a monoclonal antibody.
Structure, 20, 2012
3BTE
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BU of 3bte by Molmil
The Crystal Structures of the Complexes Between Bovine Beta-Trypsin and Ten P1 Variants of BPTI.
Descriptor: CALCIUM ION, PANCREATIC TRYPSIN INHIBITOR, SULFATE ION, ...
Authors:Helland, R, Otlewski, J, Sundheim, O, Dadlez, M, Smalas, A.O.
Deposit date:1999-03-11
Release date:2000-03-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The crystal structures of the complexes between bovine beta-trypsin and ten P1 variants of BPTI.
J.Mol.Biol., 287, 1999
4FN9
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BU of 4fn9 by Molmil
X-ray Crystal structure of the Ancestral 3-keto steroid receptor - Progesterone complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, GLYCEROL, ...
Authors:Colucci, J.K, Ortlund, E.A, Thornton, J.W.
Deposit date:2012-06-19
Release date:2012-12-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Evolution of minimal specificity and promiscuity in steroid hormone receptors.
PLoS Genet., 8, 2012
4FCA
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BU of 4fca by Molmil
The crystal structure of a functionally unknown conserved protein from Bacillus anthracis str. Ames.
Descriptor: Conserved domain protein, IMIDAZOLE, NICKEL (II) ION
Authors:Tan, K, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-05-24
Release date:2012-06-06
Method:X-RAY DIFFRACTION (2.055 Å)
Cite:The crystal structure of a functionally unknown conserved protein from Bacillus anthracis str. Ames.
To be Published

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