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2FOF
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BU of 2fof by Molmil
Structure of porcine pancreatic elastase in 80% isopropanol
Descriptor: CALCIUM ION, ISOPROPYL ALCOHOL, SULFATE ION, ...
Authors:Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D.
Deposit date:2006-01-13
Release date:2006-04-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
J.Mol.Biol., 357, 2006
2FTB
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BU of 2ftb by Molmil
Crystal structure of axolotl (Ambystoma mexicanum) liver bile acid-binding protein bound to oleic acid
Descriptor: Fatty acid-binding protein 2, liver, OLEIC ACID
Authors:Capaldi, S, Guariento, M, Perduca, M, Di Pietro, S.M, Santome, J.A, Monaco, H.L.
Deposit date:2006-01-24
Release date:2006-04-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of axolotl (Ambystoma mexicanum) liver bile acid-binding protein bound to cholic and oleic acid
Proteins, 64, 2006
2LNX
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BU of 2lnx by Molmil
Solution structure of Vav2 SH2 domain
Descriptor: Guanine nucleotide exchange factor VAV2
Authors:Wu, B, Zhang, J, Wu, J, Shi, Y.
Deposit date:2012-01-05
Release date:2012-11-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Identification and structural basis for a novel interaction between Vav2 and Arap3.
J.Struct.Biol., 180, 2012
2FMX
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BU of 2fmx by Molmil
An open conformation of switch I revealed by Sar1-GDP crystal structure at low Mg(2+)
Descriptor: GTP-binding protein SAR1b, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Rao, Y, Bian, C, Yuan, C, Li, Y, Huang, M.
Deposit date:2006-01-10
Release date:2006-09-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:An open conformation of switch I revealed by Sar1-GDP crystal structure at low Mg(2+)
Biochem.Biophys.Res.Commun., 348, 2006
2FX4
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BU of 2fx4 by Molmil
Bovine trypsin bound by 4-piperidinebutyrate to make acylenzyme complex
Descriptor: 4-PIPERIDINEBUTYRATE, CALCIUM ION, trypsin
Authors:Katz, B.A.
Deposit date:2006-02-03
Release date:2006-02-14
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
2LBV
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BU of 2lbv by Molmil
Siderocalin Q83 reveals a dual ligand binding mode
Descriptor: ARACHIDONIC ACID, Extracellular fatty acid-binding protein, GALLIUM (III) ION, ...
Authors:Coudevylle, N, Hoetzinger, M, Geist, L, Kontaxis, G, Bister, K, Konrat, R.
Deposit date:2011-04-07
Release date:2012-02-22
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Lipocalin Q83 reveals a dual ligand binding mode with potential implications for the functions of siderocalins
Biochemistry, 50, 2011
2FOB
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BU of 2fob by Molmil
Structure of porcine pancreatic elastase in 40/50/10 cyclohexane
Descriptor: CALCIUM ION, ISOPROPYL ALCOHOL, SULFATE ION, ...
Authors:Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D.
Deposit date:2006-01-13
Release date:2006-04-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
J.Mol.Biol., 357, 2006
2FRY
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BU of 2fry by Molmil
Solution structure of the third SH3 domain of human NCK2 adaptor protein
Descriptor: Cytoplasmic protein NCK2
Authors:Liu, J.
Deposit date:2006-01-20
Release date:2006-06-20
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural Insight into the Binding Diversity between the Human Nck2 SH3 Domains and Proline-Rich Proteins
Biochemistry, 45, 2006
2FSM
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BU of 2fsm by Molmil
mitogen activated protein kinase p38alpha (D176A+F327S) activating mutant form-B
Descriptor: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Diskin, R, Livnah, O.
Deposit date:2006-01-23
Release date:2006-12-05
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structures of p38alpha Active Mutants Reveal Conformational Changes in L16 Loop that Induce Autophosphorylation and Activation
J.Mol.Biol., 365, 2007
6YOU
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BU of 6you by Molmil
Crystal structure of the cAMP-dependent protein kinase A in complex with Pyrido[3,2-d]pyrimidin-4-amine (soaked)
Descriptor: cAMP-dependent protein kinase catalytic subunit alpha, pyrido[3,2-d]pyrimidin-4-amine
Authors:Oebbeke, M, Heine, A, Klebe, G.
Deposit date:2020-04-15
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
2FST
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BU of 2fst by Molmil
mitogen activated protein kinase p38alpha (D176A+F327L) activating mutant
Descriptor: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Diskin, R, Livnah, O.
Deposit date:2006-01-23
Release date:2006-12-05
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structures of p38alpha Active Mutants Reveal Conformational Changes in L16 Loop that Induce Autophosphorylation and Activation
J.Mol.Biol., 365, 2007
6YPP
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BU of 6ypp by Molmil
Crystal structure of the cAMP-dependent protein kinase A cocrystallized with PKI (5-24). Soaking of aminofasudil and displacing it with the fragment isoquinoline.
Descriptor: ISOQUINOLINE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Oebbeke, M, Gerber, H.-D, Heine, A, Klebe, G.
Deposit date:2020-04-16
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Fluorescence-based displacement experiments
To Be Published
2FSP
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BU of 2fsp by Molmil
NMR SOLUTION STRUCTURE OF BACILLUS SUBTILIS SPO0F PROTEIN, MINIMIZED AVERAGE STRUCTURE
Descriptor: STAGE 0 SPORULATION PROTEIN F
Authors:Feher, V.A, Skelton, N.J, Dahlquist, F.W, Cavanagh, J.
Deposit date:1997-06-06
Release date:1997-12-10
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:High-resolution NMR structure and backbone dynamics of the Bacillus subtilis response regulator, Spo0F: implications for phosphorylation and molecular recognition.
Biochemistry, 36, 1997
6YOT
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BU of 6yot by Molmil
Crystal structure of the cAMP-dependent protein kinase A cocrystallized with N,N-dimethylisoquinoline-5-sulfonamide and PKI (5-24)
Descriptor: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ~{N},~{N}-dimethylisoquinoline-5-sulfonamide
Authors:Oebbeke, M, Heine, A, Klebe, G.
Deposit date:2020-04-15
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
2FOL
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BU of 2fol by Molmil
Crystal structure of human RAB1A in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-1A, ...
Authors:Wang, J, Tempel, W, Shen, Y, Shen, L, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-01-13
Release date:2006-01-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.631 Å)
Cite:Crystal structure of human RAB1A in complex with GDP
To be Published
2L7Z
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BU of 2l7z by Molmil
NMR Structure of A13 homedomain
Descriptor: Homeobox protein Hox-A13
Authors:Ames, J.
Deposit date:2010-12-27
Release date:2011-11-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis for sequence specific DNA binding and protein dimerization of HOXA13.
Plos One, 6, 2011
2LMT
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BU of 2lmt by Molmil
NMR structure of Androcam
Descriptor: CALCIUM ION, Calmodulin-related protein 97A
Authors:Joshi, M.K, Moran, S.T, Beckingham, K.M, Mackenzie, K.R.
Deposit date:2011-12-12
Release date:2012-08-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of androcam supports specialized interactions with myosin VI.
Proc.Natl.Acad.Sci.USA, 109, 2012
2FR7
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BU of 2fr7 by Molmil
Crystal Structure of Cytochrome P450 CYP199A2
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, putative cytochrome P450
Authors:Rao, Z, Wong, L.L, Xu, F, Bell, S.G.
Deposit date:2006-01-19
Release date:2007-01-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structure of CYP199A2, a para-substituted benzoic acid oxidizing cytochrome P450 from Rhodopseudomonas palustris
J.Mol.Biol., 383, 2008
2FRS
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BU of 2frs by Molmil
Crystal structure of the f15w mutant of apo-cellular retinoic acid binding protein type ii at 1.51 angstroms resolution
Descriptor: Cellular retinoic acid-binding protein 2, SODIUM ION
Authors:Vaezeslami, S, Geiger, J.H.
Deposit date:2006-01-20
Release date:2006-09-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:The structure of Apo-wild-type cellular retinoic acid binding protein II at 1.4 A and its relationship to ligand binding and nuclear translocation.
J.Mol.Biol., 363, 2006
2LCW
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BU of 2lcw by Molmil
solution structure of FUS/TLS RRM domain
Descriptor: RNA-binding protein FUS
Authors:Liu, X, Ren, J, Niu, C, Gong, W, Feng, W.
Deposit date:2011-05-10
Release date:2012-06-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:TLS-RRM is a promiscuous nucleic acid binding domain
To be Published
2LAV
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BU of 2lav by Molmil
NMR solution structure of human Vaccinia-Related Kinase 1
Descriptor: Vaccinia-related kinase 1
Authors:Shin, J, Yoon, H.S.
Deposit date:2011-03-21
Release date:2011-05-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR Solution Structure of Human Vaccinia-related Kinase 1 (VRK1) Reveals the C-terminal Tail Essential for Its Structural Stability and Autocatalytic Activity.
J.Biol.Chem., 286, 2011
2GMT
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BU of 2gmt by Molmil
THREE-DIMENSIONAL STRUCTURE OF CHYMOTRYPSIN INACTIVATED WITH (2S) N-ACETYL-L-ALANYL-L-PHENYLALANYL-CHLOROETHYL KETONE: IMPLICATIONS FOR THE MECHANISM OF INACTIVATION OF SERINE PROTEASES BY CHLOROKETONES
Descriptor: (2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-CHLOROETHYLKETONE, GAMMA-CHYMOTRYPSIN
Authors:Kreutter, K, Steinmetz, A.C.U, Liang, T.-C, Prorok, M, Abeles, R, Ringe, D.
Deposit date:1994-09-07
Release date:1994-11-01
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three-dimensional structure of chymotrypsin inactivated with (2S)-N-acetyl-L-alanyl-L-phenylalanyl alpha-chloroethane: implications for the mechanism of inactivation of serine proteases by chloroketones.
Biochemistry, 33, 1994
2HBS
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BU of 2hbs by Molmil
THE HIGH RESOLUTION CRYSTAL STRUCTURE OF DEOXYHEMOGLOBIN S
Descriptor: HEMOGLOBIN S (DEOXY), ALPHA CHAIN, BETA CHAIN, ...
Authors:Harrington, D.J, Adachi, K, Royer Junior, W.E.
Deposit date:1997-05-06
Release date:1997-07-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The high resolution crystal structure of deoxyhemoglobin S.
J.Mol.Biol., 272, 1997
2L4N
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BU of 2l4n by Molmil
Solution Structure of the Chemokine CCL21
Descriptor: C-C motif chemokine 21
Authors:Veldkamp, C.T, Peterson, F.C, Love, M, Sandberg, J.L.
Deposit date:2010-10-10
Release date:2011-11-02
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of CCL21 and identification of a putative CCR7 binding site.
Biochemistry, 51, 2012
2HI9
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BU of 2hi9 by Molmil
Crystal Structure of human native protein C inhibitor
Descriptor: CITRIC ACID, GLYCEROL, Plasma serine protease inhibitor
Authors:Li, W, Adams, T.E, Huntington, J.A.
Deposit date:2006-06-29
Release date:2007-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of native protein C inhibitor provides insight into its multiple functions.
J.Biol.Chem., 282, 2007

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