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7A1B
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BU of 7a1b by Molmil
Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 5,6-dibromo-1H-triazolo[4,5-b]pyridine
Descriptor: 1,2-ETHANEDIOL, 5,6-dibromo-1H-triazolo[4,5-b]pyridine, CHLORIDE ION, ...
Authors:Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P.
Deposit date:2020-08-12
Release date:2020-12-09
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.287 Å)
Cite:Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
2IJ5
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BU of 2ij5 by Molmil
Crystal structure of cytochrome P450 CYP121, P212121 space group
Descriptor: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Roujeinikova, A, Leys, D.
Deposit date:2006-09-29
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the Mycobacterium tuberculosis P450 CYP121-fluconazole complex reveals new azole drug-P450 binding mode.
J.Biol.Chem., 281, 2006
2IUH
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BU of 2iuh by Molmil
Crystal structure of the PI3-kinase p85 N-terminal SH2 domain in complex with c-Kit phosphotyrosyl peptide
Descriptor: C-KIT PHOSPHOTYROSYL PEPTIDE, PHOSPHATIDYLINOSITOL 3-KINASE REGULATORY ALPHA SUBUNIT
Authors:Nolte, R.T, Eck, M.J, Schlessinger, J, Shoelson, S.E, Harrison, S.C.
Deposit date:2006-06-03
Release date:2006-06-06
Last modified:2021-04-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Pi 3-Kinase P85 Amino-Terminal Sh2 Domain and its Phosphopeptide Complexes
Nat.Struct.Biol., 3, 1996
2MP1
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BU of 2mp1 by Molmil
Solution structure of the human chemokine CCL19
Descriptor: C-C motif chemokine 19
Authors:Veldkamp, C.T, Peterson, F.C, Gabel-Eissens, S.J, Gillitzer, M.L.
Deposit date:2014-05-09
Release date:2015-06-10
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution Structure of CCL19 and Identification of Overlapping CCR7 and PSGL-1 Binding Sites.
Biochemistry, 54, 2015
2FRI
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BU of 2fri by Molmil
Horse Heart Myoglobin, Nitrite Adduct, Co-crystallized
Descriptor: Myoglobin, NITRITE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Copeland, D.M, Soares, A.S, West, A.H, Richter-Addo, G.B.
Deposit date:2006-01-19
Release date:2006-05-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of the nitrite and nitric oxide complexes of horse heart myoglobin.
J.Inorg.Biochem., 100, 2006
7A21
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BU of 7a21 by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2158
Descriptor: 1,2-ETHANEDIOL, 4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type I, ...
Authors:Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2020-08-14
Release date:2020-09-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2153
To Be Published
2FYS
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BU of 2fys by Molmil
Crystal structure of Erk2 complex with KIM peptide derived from MKP3
Descriptor: Dual specificity protein phosphatase 6, Mitogen-activated protein kinase 1
Authors:Liu, S, Sun, J.P, Zhou, B, Zhang, Z.Y.
Deposit date:2006-02-08
Release date:2006-04-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of docking interactions between ERK2 and MAP kinase phosphatase 3
Proc.Natl.Acad.Sci.Usa, 103, 2006
2FN2
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BU of 2fn2 by Molmil
SOLUTION NMR STRUCTURE OF THE GLYCOSYLATED SECOND TYPE TWO MODULE OF FIBRONECTIN, 20 STRUCTURES
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FIBRONECTIN
Authors:Sticht, H, Pickford, A.R, Potts, J.R, Campbell, I.D.
Deposit date:1997-08-06
Release date:1998-09-16
Last modified:2020-07-29
Method:SOLUTION NMR
Cite:Solution structure of the glycosylated second type 2 module of fibronectin.
J.Mol.Biol., 276, 1998
2FOD
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BU of 2fod by Molmil
Structure of porcine pancreatic elastase in 80% ethanol
Descriptor: CALCIUM ION, ETHANOL, 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 Å)
Cite:Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
J.Mol.Biol., 357, 2006
2MP3
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BU of 2mp3 by Molmil
Truncated L126Z-sod1 in DPC micelle
Descriptor: Superoxide dismutase [Cu-Zn]
Authors:Lim, L, Song, J.
Deposit date:2014-05-10
Release date:2015-05-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Mechanism for transforming cytosolic SOD1 into integral membrane proteins of organelles by ALS-causing mutations
Biochim.Biophys.Acta, 1848, 2015
2FRC
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BU of 2frc by Molmil
CYTOCHROME C (REDUCED) FROM EQUUS CABALLUS, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: CYTOCHROME C, HEME C
Authors:Qi, P.X, Di Stefano, D.L, Wand, A.J.
Deposit date:1996-07-02
Release date:1997-07-29
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structure of horse heart ferricytochrome c and detection of redox-related structural changes by high-resolution 1H NMR.
Biochemistry, 35, 1996
2MVD
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BU of 2mvd by Molmil
Solution structure of [GlnB22]-insulin mutant at pH 1.9
Descriptor: Insulin A chain, Insulin B chain
Authors:Hexnerova, R, Krizkova, K, Maletinska, L, Jiracek, J, Brzozowski, A.M, Zakova, L, Veverka, V.
Deposit date:2014-10-02
Release date:2014-12-10
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural and Functional Study of the GlnB22-Insulin Mutant Responsible for Maturity-Onset Diabetes of the Young.
Plos One, 9, 2014
2FSO
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BU of 2fso by Molmil
mitogen activated protein kinase p38alpha (D176A) 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 (1.83 Å)
Cite:Structures of p38alpha Active Mutants Reveal Conformational Changes in L16 Loop that Induce Autophosphorylation and Activation
J.Mol.Biol., 365, 2007
2MW8
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BU of 2mw8 by Molmil
Solution structure of SATB1 homeodomain
Descriptor: DNA-binding protein SATB1
Authors:Yamasaki, K, Yamasaki, T.
Deposit date:2014-10-31
Release date:2015-11-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of SATB1 homeodomain
To be Published
2N7C
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BU of 2n7c by Molmil
Solution structure of Plasmodium falciparum SR1-RRM1 in complex with ACAUCA RNA
Descriptor: RNA_(5'-R(*AP*CP*AP*UP*CP*A)-3'), putative splicing factor
Authors:Ganguly, A.K, Verma, G, Bhavesh, N.S.
Deposit date:2015-09-08
Release date:2016-10-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The N-terminal RNA Recognition Motif of PfSR1 Confers Semi-specificity for Pyrimidines during RNA Recognition.
J. Mol. Biol., 431, 2019
2FUM
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BU of 2fum by Molmil
Catalytic domain of protein kinase PknB from Mycobacterium tuberculosis in complex with mitoxantrone
Descriptor: 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE, Probable serine/threonine-protein kinase pknB
Authors:Wehenkel, A, Alzari, P.M.
Deposit date:2006-01-27
Release date:2006-08-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:The structure of PknB in complex with mitoxantrone, an ATP-competitive inhibitor, suggests a mode of protein kinase regulation in mycobacteria
Febs Lett., 580, 2006
2NA0
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BU of 2na0 by Molmil
NMR structure of Guanylyl Cyclase Activator Protein 1 (GCAP1) mutant V77E in a Ca2+-free/Mg2+-bound Activator State
Descriptor: Guanylyl cyclase-activating protein 1
Authors:Lim, S, Ames, J.B.
Deposit date:2015-12-16
Release date:2015-12-30
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of Guanylyl Cyclase Activator Protein 1 (GCAP1) Mutant V77E in a Ca2+-free/Mg2+-bound Activator State.
J.Biol.Chem., 291, 2016
7A1Z
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BU of 7a1z by Molmil
Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 6-bromo-5-chloro-1H-triazolo[4,5-b]pyridine
Descriptor: 1,2-ETHANEDIOL, 6-bromanyl-5-chloranyl-1~{H}-[1,2,3]triazolo[4,5-b]pyridine, CHLORIDE ION, ...
Authors:Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P.
Deposit date:2020-08-14
Release date:2020-12-09
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.024 Å)
Cite:Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
2FVS
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BU of 2fvs by Molmil
A Structural Study of the CA Dinucleotide Step in the Integrase Processing Site of Moloney Murine Leukemia Virus
Descriptor: 5'-D(*CP*AP*CP*AP*AP*TP*GP*AP*TP*CP*AP*TP*TP*GP*TP*G)-3', reverse transcriptase
Authors:Montano, S.P, Cote, M.L, Roth, M.J, Georgiadis, M.M.
Deposit date:2006-01-31
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structures of oligonucleotides including the integrase processing site of the Moloney murine leukemia virus.
Nucleic Acids Res., 34, 2006
2MSK
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BU of 2msk by Molmil
Solution Structure and Chemical Shift Assignments for BeF3 activated Receiver Domain of Nitrogen Regulatory Protein C (NtrC) at 35C
Descriptor: Nitrogen regulation protein NR(I)
Authors:Clarkson, M.W, Pontiggia, F, Villali, J, Kern, D.
Deposit date:2014-08-04
Release date:2015-07-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Free energy landscape of activation in a signalling protein at atomic resolution.
Nat Commun, 6, 2015
2FWW
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BU of 2fww by Molmil
human beta-tryptase II complexed with 4-piperidinebutyrate to make acylenzyme
Descriptor: 4-PIPERIDINEBUTYRATE, Tryptase beta-2
Authors:Katz, B.A.
Deposit date:2006-02-03
Release date:2006-02-14
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
2MSY
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BU of 2msy by Molmil
Solution structure of Hox homeodomain
Descriptor: Homeobox protein Hox-C9
Authors:Kim, H, Park, S, Han, J, Lee, B.
Deposit date:2014-08-11
Release date:2015-09-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural insight into the interaction between the Hox and HMGB1 and understanding of the HMGB1-enhancing effect of Hox-DNA binding.
Biochim.Biophys.Acta, 1854, 2015
2N5B
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BU of 2n5b by Molmil
Structures of the OXIDIZED state of the mutant D24A of yeast thioredoxin 1
Descriptor: Thioredoxin-1
Authors:Iqbal, A, Moraes, A.H, Valente, A.P, Almeida, F.C.L.
Deposit date:2015-07-13
Release date:2015-10-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structures of the reduced and oxidized state of the mutant D24A of yeast thioredoxin 1: insights into the mechanism for the closing of the water cavity.
J.Biomol.Nmr, 63, 2015
2FNT
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BU of 2fnt by Molmil
Crystal structure of a drug-resistant (V82A) inactive (D25N) HIV-1 protease complexed with AP2V variant of HIV-1 NC-p1 substrate.
Descriptor: ACETATE ION, NC-p1 substrate PEPTIDE, PHOSPHATE ION, ...
Authors:Prabu-Jeyabaln, M, Nalivaika, E.A, Schiffer, C.A.
Deposit date:2006-01-11
Release date:2006-09-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Mechanism of substrate recognition by drug-resistant human immunodeficiency virus type 1 protease variants revealed by a novel structural intermediate.
J.Virol., 80, 2006
2N46
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BU of 2n46 by Molmil
EC-NMR Structure of Human H-RasT35S mutant protein Determined by Combining Evolutionary Couplings (EC) and Sparse NMR Data
Descriptor: GTPase HRas
Authors:Tang, Y, Huang, Y.J, Hopf, T.A, Sander, C, Marks, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2015-06-17
Release date:2015-07-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Protein structure determination by combining sparse NMR data with evolutionary couplings.
Nat.Methods, 12, 2015

223532

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