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4HOD
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BU of 4hod by Molmil
Crystal structure of LeuT-E290S with bound Cl
Descriptor: CHLORIDE ION, LEUCINE, SODIUM ION, ...
Authors:Kantcheva, A.K, Quick, M, Shi, L, Winther, A.M.L, Stolzenberg, S, Weinstein, H, Javitch, J.A, Nissen, P.
Deposit date:2012-10-22
Release date:2013-05-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:The chloride binding site of Neurotransmitter Sodium Symporters
Proc.Natl.Acad.Sci.USA, 2013
4HW5
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BU of 4hw5 by Molmil
Crystal Structure of the Human C3a anaphylatoxin
Descriptor: Complement C3, SULFATE ION
Authors:Bajic, G, Yatime, L, Andersen, G.R.
Deposit date:2012-11-07
Release date:2012-12-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Human C3a and C3a desArg anaphylatoxins have conserved structures, in contrast to C5a and C5a desArg.
Protein Sci., 22, 2013
4KYN
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BU of 4kyn by Molmil
Crystal structure of odorant binding protein 48 from Anopheles gambiae at 3.3 Angstrom resolution
Descriptor: Odorant binding protein-8
Authors:Tsitsanou, K.E, Drakou, C.E, Zographos, S.E.
Deposit date:2013-05-29
Release date:2013-10-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal and Solution Studies of the "Plus-C" Odorant-binding Protein 48 from Anopheles gambiae: CONTROL OF BINDING SPECIFICITY THROUGH THREE-DIMENSIONAL DOMAIN SWAPPING.
J.Biol.Chem., 288, 2013
3MH1
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BU of 3mh1 by Molmil
Mutagenesis of p38 MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state
Descriptor: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B.
Deposit date:2010-04-07
Release date:2010-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mutagenesis of p38alpha MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-OUT state.
Biochemistry, 46, 2007
3N4D
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BU of 3n4d by Molmil
Crystal structure of Cg10062 inactivated by(R)-oxirane-2-carboxylate
Descriptor: Putative tautomerase
Authors:Guo, Y, Robertson, B.A, Hackert, M.L, Whitman, C.P.
Deposit date:2010-05-21
Release date:2011-06-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Crystal Structures of the Native and Inactivated Cg10062, a cis-3-Chloroacrylic Acid Dehalogenase from Corynebacterium glutamicum: Implications for the Evolution of cis-3-Chloroacrylic Acid Dehalogenase Activity in the Tautomerase Superfamily
To be Published
4M4L
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BU of 4m4l by Molmil
The structure of Cu T6 bovine insulin
Descriptor: COPPER (II) ION, Insulin
Authors:Frankaer, C.G, Harris, P, Stahl, K.
Deposit date:2013-08-07
Release date:2014-01-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Towards accurate structural characterization of metal centres in protein crystals: the structures of Ni and Cu T6 bovine insulin derivatives.
Acta Crystallogr.,Sect.D, 70, 2014
3NNX
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BU of 3nnx by Molmil
Crystal structure of phosphorylated P38 alpha in complex with DP802
Descriptor: 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide, Mitogen-activated protein kinase 14
Authors:Abendroth, J.
Deposit date:2010-06-24
Release date:2010-09-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region
Bioorg.Med.Chem.Lett., 20, 2010
3NNV
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BU of 3nnv by Molmil
Crystal structure of P38 alpha in complex with DP437
Descriptor: 1-{3-tert-butyl-1-[4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl}-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14
Authors:Abendroth, J.
Deposit date:2010-06-24
Release date:2010-09-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region
Bioorg.Med.Chem.Lett., 20, 2010
3NYK
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BU of 3nyk by Molmil
The structure of cobalt-substituted pseudoazurin from Alcaligenes faecalis
Descriptor: COBALT (II) ION, Pseudoazurin
Authors:Gessmann, R, Petratos, K.
Deposit date:2010-07-15
Release date:2010-10-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The crystal structure of cobalt-substituted pseudoazurin from Alcaligenes faecalis.
Biopolymers, 95, 2011
4MIH
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BU of 4mih by Molmil
Pyranose 2-oxidase from Phanerochaete chrysosporium, recombinant H158A mutant
Descriptor: 3-deoxy-3-fluoro-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, Pyranose 2-oxidase
Authors:Hassan, N, Tan, T.C, Spadiut, O, Pisanelli, I, Fusco, L, Haltrich, D, Peterbauer, C, Divne, C.
Deposit date:2013-08-31
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of Phanerochaete chrysosporium pyranose 2-oxidase suggest that the N-terminus acts as a propeptide that assists in homotetramer assembly.
FEBS Open Bio, 3, 2013
3O8U
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BU of 3o8u by Molmil
Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding
Descriptor: 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B.
Deposit date:2010-08-03
Release date:2010-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding
To be Published
3O8P
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BU of 3o8p by Molmil
Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding
Descriptor: 1,2-ETHANEDIOL, 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA, Mitogen-activated protein kinase 14, ...
Authors:Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B.
Deposit date:2010-08-03
Release date:2010-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding
To be Published
3OC1
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BU of 3oc1 by Molmil
Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding
Descriptor: 1,2-ETHANEDIOL, 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA, Mitogen-activated protein kinase 14
Authors:Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B.
Deposit date:2010-08-09
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding
To be Published
3O8T
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BU of 3o8t by Molmil
Conformational plasticity of p38 MAP kinase DFG-motif mutants in response to inhibitor binding
Descriptor: 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B.
Deposit date:2010-08-03
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding
To be Published
3OBG
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BU of 3obg by Molmil
Conformational plasticity of p38 MAP kinase DFG mutants in response to inhibitor binding
Descriptor: 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, Mitogen-activated protein kinase 14
Authors:Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B.
Deposit date:2010-08-06
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding
To be Published
3OV1
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BU of 3ov1 by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide
Descriptor: FORMIC ACID, GLYCEROL, Growth factor receptor-bound protein 2, ...
Authors:Clements, J.H, Martin, S.F.
Deposit date:2010-09-15
Release date:2011-11-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Protein-ligand interactions: thermodynamic effects associated with increasing nonpolar surface area.
J.Am.Chem.Soc., 133, 2011
4LP4
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BU of 4lp4 by Molmil
Crystal structure of the human RAGE VC1 fragment in space group P62
Descriptor: Advanced glycosylation end product-specific receptor, SODIUM ION
Authors:Yatime, L, Andersen, G.R.
Deposit date:2013-07-15
Release date:2013-10-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights into the oligomerization mode of the human receptor for advanced glycation end-products.
Febs J., 280, 2013
3OVE
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BU of 3ove by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide
Descriptor: CHLORIDE ION, Growth factor receptor-bound protein 2, PYAC7CN
Authors:Clements, J.H, Martin, S.F.
Deposit date:2010-09-16
Release date:2011-11-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Protein-ligand interactions: thermodynamic effects associated with increasing nonpolar surface area.
J.Am.Chem.Soc., 133, 2011
4LBW
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BU of 4lbw by Molmil
Identifying ligand binding hot spots in proteins using brominated fragments
Descriptor: AMMONIUM ION, Elongation factor Tu-A, MAGNESIUM ION, ...
Authors:Groftehauge, M.K, Therkelsen, M, Taaning, R, Skrydstrup, T, Morth, J.P, Nissen, P.
Deposit date:2013-06-21
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.741 Å)
Cite:Identifying ligand-binding hot spots in proteins using brominated fragments.
Acta Crystallogr.,Sect.F, 69, 2013
3MPA
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BU of 3mpa by Molmil
Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding
Descriptor: 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B.
Deposit date:2010-04-26
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding
TO BE PUBLISHED
3P7F
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BU of 3p7f by Molmil
Structure of the human Langerin carbohydrate recognition domain
Descriptor: C-type lectin domain family 4 member K, CALCIUM ION
Authors:Skerra, A, Schiefner, A.
Deposit date:2010-10-12
Release date:2010-11-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The carbohydrate recognition domain of Langerin reveals high structural similarity with the one of DC-SIGN but an additional, calcium-independent sugar-binding site.
Mol.Immunol., 45, 2008
4M4M
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BU of 4m4m by Molmil
The structure of Ni T6 bovine insulin
Descriptor: Insulin, NICKEL (II) ION
Authors:Frankaer, C.G, Harris, P, Stahl, K.
Deposit date:2013-08-07
Release date:2014-01-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Towards accurate structural characterization of metal centres in protein crystals: the structures of Ni and Cu T6 bovine insulin derivatives.
Acta Crystallogr.,Sect.D, 70, 2014
3PG3
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BU of 3pg3 by Molmil
Human p38 MAP Kinase in Complex with RL182
Descriptor: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-3-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
Deposit date:2010-10-29
Release date:2011-11-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design and synthesis of cell active N-pyrazole, N-thiazole urea inhibitors of the MAP kinase p38alpha
To be Published
4NWD
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BU of 4nwd by Molmil
Crystal structure of the kainate receptor GluK3 ligand-binding domain in complex with the agonist (2S,4R)-4-(3-Methylamino-3-oxopropyl)glutamic acid at 2.6 A resolution
Descriptor: (4R)-4-[3-(methylamino)-3-oxopropyl]-L-glutamic acid, CHLORIDE ION, Glutamate receptor ionotropic, ...
Authors:Venskutonyte, R, Larsen, A.P, Frydenvang, K, Gajhede, M, Kastrup, J.S.
Deposit date:2013-12-06
Release date:2014-08-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular Recognition of Two 2,4-syn-Functionalized (S)-Glutamate Analogues by the Kainate Receptor GluK3 Ligand Binding Domain.
Chemmedchem, 9, 2014
4NZD
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BU of 4nzd by Molmil
Interleukin 21 receptor
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Interleukin-21 receptor, ...
Authors:Hamming, O.T, Kang, L, Siupka, P, Gad, H.H, Hartmann, R.
Deposit date:2013-12-12
Release date:2014-12-17
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Interleukin 21 receptor structure and function
To be Published

226262

数据于2024-10-16公开中

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