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4B9D
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BU of 4b9d by Molmil
Crystal Structure of Human NIMA-related Kinase 1 (NEK1) with inhibitor.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK1, ...
Authors:Elkins, J.M, Hanchuk, T.D.M, Lovato, D.V, Basei, F.L, Meirelles, G.V, Kobarg, J, Szklarz, M, Vollmar, M, Mahajan, P, Rellos, P, Zhang, Y, Krojer, T, Pike, A.C.W, Canning, P, von Delft, F, Raynor, J, Bountra, C, Arrowsmith, C, Edwards, A, Knapp, S.
Deposit date:2012-09-04
Release date:2012-09-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:NEK1 kinase domain structure and its dynamic protein interactome after exposure to Cisplatin.
Sci Rep, 7, 2017
2XKX
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BU of 2xkx by Molmil
Single particle analysis of PSD-95 in negative stain
Descriptor: DISKS LARGE HOMOLOG 4
Authors:Fomina, S, Howard, T.D, Sleator, O.K, Golovanova, M, O'Ryan, L, Leyland, M.L, Grossmann, J.G, Collins, R.F, Prince, S.M.
Deposit date:2010-07-15
Release date:2011-07-20
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (22.9 Å), SOLUTION SCATTERING
Cite:Self-Directed Assembly and Clustering of the Cytoplasmic Domains of Inwardly Rectifying Kir2.1 Potassium Channels on Association with Psd-95
Biochim.Biophys.Acta, 1808, 2011
3FUO
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BU of 3fuo by Molmil
The Crystal structure of receptor binding domain of botulinum neurotoxin serotype A
Descriptor: Botulinum neurotoxin type A
Authors:Fu, Z, Chen, C, Barbieri, J.T, Kim, J.-J.P, Baldwin, M.R.
Deposit date:2009-01-14
Release date:2009-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Glycosylated SV2 and gangliosides as dual receptors for botulinum neurotoxin serotype F
Biochemistry, 48, 2009
1KZG
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BU of 1kzg by Molmil
DbsCdc42(Y889F)
Descriptor: CDC42 HOMOLOG, GUANINE NUCLEOTIDE EXCHANGE FACTOR DBS
Authors:Rossman, K.L, Worthylake, D.K, Snyder, J.T, Siderovski, D.P, Campbell, S.L, Sondek, J.
Deposit date:2002-02-06
Release date:2002-03-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A crystallographic view of interactions between Dbs and Cdc42: PH domain-assisted guanine nucleotide exchange.
EMBO J., 21, 2002
1L5G
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BU of 1l5g by Molmil
CRYSTAL STRUCTURE OF THE EXTRACELLULAR SEGMENT OF INTEGRIN AVB3 IN COMPLEX WITH AN ARG-GLY-ASP LIGAND
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xiong, J.-P, Stehle, T, Zhang, R, Joachimiak, A, Frech, M, Goodman, S.L, Arnaout, M.A.
Deposit date:2002-03-06
Release date:2002-04-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of the extracellular segment of integrin alpha Vbeta3 in complex with an Arg-Gly-Asp ligand.
Science, 296, 2002
4AE6
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BU of 4ae6 by Molmil
Structure and Function of the Human Sperm-Specific Isoform of Protein Kinase A (PKA) Catalytic Subunit Calpha 2
Descriptor: ACETATE ION, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA 2
Authors:Hereng, T.H, Backe, P.H, Kahmann, J, Scheich, C, Bjoras, M, Skalhegg, B.S, Rosendal, K.R.
Deposit date:2012-01-09
Release date:2012-04-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and Function of the Human Sperm-Specific Isoform of Protein Kinase a (Pka) Catalytic Subunit Calpha2
J.Struct.Biol., 178, 2012
1M1X
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BU of 1m1x by Molmil
CRYSTAL STRUCTURE OF THE EXTRACELLULAR SEGMENT OF INTEGRIN ALPHA VBETA3 BOUND TO MN2+
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xiong, J.-P, Stehle, T, Zhang, R, Joachimiak, A, Frech, M, Goodman, S.L, Arnaout, M.A.
Deposit date:2002-06-20
Release date:2002-08-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of the extracellular segment of integrin alpha Vbeta3 in complex with an Arg-Gly-Asp ligand.
Science, 296, 2002
4A90
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Crystal structure of mouse SAP18 residues 1-143
Descriptor: GLYCEROL, HISTONE DEACETYLASE COMPLEX SUBUNIT SAP18
Authors:Murachelli, A.G, Ebert, J, Basquin, C, Le Hir, H, Conti, E.
Deposit date:2011-11-22
Release date:2012-03-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Structure of the Asap Core Complex Reveals the Existence of a Pinin-Containing Psap Complex
Nat.Struct.Mol.Biol., 19, 2012
2WM9
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BU of 2wm9 by Molmil
Structure of the complex between DOCK9 and Cdc42.
Descriptor: CELL DIVISION CONTROL PROTEIN 42 HOMOLOG, DEDICATOR OF CYTOKINESIS PROTEIN 9, GLYCEROL
Authors:Yang, J, Roe, S.M, Barford, D.
Deposit date:2009-06-30
Release date:2009-09-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Activation of Rho Gtpases by Dock Exchange Factors is Mediated by a Nucleotide Sensor.
Science, 325, 2009
3SWW
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BU of 3sww by Molmil
Crystal structure of human dpp-iv in complex with sa-(+)-3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)- 2-methyl-5h-pyrrolo[3,4-b]pyridin-7(6h)-one
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-5,6-dihydro-7H-pyrrolo[3,4-b]pyridin-7-one, ...
Authors:Klei, H.E.
Deposit date:2011-07-14
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:7-Oxopyrrolopyridine-derived DPP4 inhibitors-mitigation of CYP and hERG liabilities via introduction of polar functionalities in the active site.
Bioorg.Med.Chem.Lett., 21, 2011
7ZAU
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BU of 7zau by Molmil
Fascin-1 in complex with Nb 3E11
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Fascin, ...
Authors:Burgess, S.G, Bayliss, R.
Deposit date:2022-03-22
Release date:2023-09-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A nanobody inhibitor of Fascin-1 actin-bundling activity and filopodia formation.
Open Biology, 14, 2024
1GUA
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BU of 1gua by Molmil
HUMAN RAP1A, RESIDUES 1-167, DOUBLE MUTANT (E30D,K31E) COMPLEXED WITH GPPNHP AND THE RAS-BINDING-DOMAIN OF HUMAN C-RAF1, RESIDUES 51-131
Descriptor: C-RAF1, CALCIUM ION, MAGNESIUM ION, ...
Authors:Nassar, N, Wittinghofer, A.
Deposit date:1996-06-18
Release date:1997-01-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ras/Rap effector specificity determined by charge reversal.
Nat.Struct.Biol., 3, 1996
3VHK
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BU of 3vhk by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a back pocket binder
Descriptor: 1,2-ETHANEDIOL, Vascular endothelial growth factor receptor 2, {3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}methanol
Authors:Iwata, H, Oki, H, Okada, K, Takagi, T, Tawada, M, Miyazaki, Y, Imamura, S, Hori, A, Hixon, M.S, Kimura, H, Miki, H.
Deposit date:2011-08-25
Release date:2012-09-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:A Back-to-Front Fragment-Based Drug Design Search Strategy Targeting the DFG-Out Pocket of Protein Tyrosine Kinases.
ACS MED.CHEM.LETT., 3, 2012
4AU8
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BU of 4au8 by Molmil
Crystal structure of compound 4a in complex with cdk5, showing an unusual binding mode to the hinge region via a water molecule
Descriptor: 4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide, CYCLIN-DEPENDENT KINASE 5, IMIDAZOLE, ...
Authors:Malmstrom, J, Viklund, J, Slivo, C, Costa, A, Maudet, M, Sandelin, C, Hiller, G, Olsson, L.L, Aagaard, A, Geschwindner, S, Xue, Y, Vasange, M.
Deposit date:2012-05-14
Release date:2013-03-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Synthesis and Structure-Activity Relationship of 4-(1,3-Benzothiazol-2-Yl)-Thiophene-2-Sulfonamides as Cyclin-Dependent Kinase 5 (Cdk5)/P25 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
1JV2
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BU of 1jv2 by Molmil
CRYSTAL STRUCTURE OF THE EXTRACELLULAR SEGMENT OF INTEGRIN ALPHAVBETA3
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xiong, J.P, Stehle, T, Diefenbach, B, Zhang, R, Dunker, R, Scott, D, Joachimiak, A, Goodman, S.L, Arnaout, M.A.
Deposit date:2001-08-28
Release date:2001-10-17
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of the extracellular segment of integrin alpha Vbeta3.
Science, 294, 2001
1GRN
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BU of 1grn by Molmil
CRYSTAL STRUCTURE OF THE CDC42/CDC42GAP/ALF3 COMPLEX.
Descriptor: ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Nassar, N, Hoffman, G.R, Clardy, J.C, Cerione, R.A.
Deposit date:1998-07-30
Release date:1999-12-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of Cdc42 bound to the active and catalytically compromised forms of Cdc42GAP.
Nat.Struct.Biol., 5, 1998
1GZS
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BU of 1gzs by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN THE GEF DOMAIN OF THE SALMONELLA TYPHIMURIUM SOPE TOXIN AND HUMAN Cdc42
Descriptor: GTP-BINDING PROTEIN, SOPE, SULFATE ION
Authors:Buchwald, G, Friebel, A, Galan, J.E, Hardt, W.D, Wittinghofer, A, Scheffzek, K.
Deposit date:2002-06-05
Release date:2002-09-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for the Reversible Activation of a Rho Protein by the Bacterial Toxin Sope
Embo J., 21, 2002
3FTM
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BU of 3ftm by Molmil
Class II ligase ribozyme product-template duplex, structure 1
Descriptor: 5'-R(*CP*CP*AP*GP*UP*CP*GP*GP*AP*AP*CP*A)-3', 5'-R(*GP*UP*GP*UP*GP*AP*GP*GP*CP*UP*G)-3', MAGNESIUM ION, ...
Authors:Pitt, J.N, Ferre-D'Amare, A.R.
Deposit date:2009-01-13
Release date:2009-02-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-guided engineering of the regioselectivity of RNA ligase ribozymes.
J.Am.Chem.Soc., 131, 2009
3FS0
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BU of 3fs0 by Molmil
Class II ligase ribozyme product-template duplex, structure 2
Descriptor: 5'-R(*CP*CP*AP*GP*UP*CP*GP*GP*AP*AP*C)-3', 5'-R(*GP*GP*UP*GP*AP*GP*GP*CP*UP*G)-3', MAGNESIUM ION
Authors:Pitt, J.N, Ferre-D'Amare, A.R.
Deposit date:2009-01-08
Release date:2009-02-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-guided engineering of the regioselectivity of RNA ligase ribozymes.
J.Am.Chem.Soc., 131, 2009
4AQD
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BU of 4aqd by Molmil
Crystal structure of fully glycosylated human butyrylcholinesterase
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Brazzolotto, X, Wandhammer, M, Ronco, C, Trovaslet, M, Jean, L, Lockridge, O, Renard, P.Y, Nachon, F.
Deposit date:2012-04-16
Release date:2012-07-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Human butyrylcholinesterase produced in insect cells: huprine-based affinity purification and crystal structure.
FEBS J., 279, 2012
4APC
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BU of 4apc by Molmil
Crystal Structure of Human NIMA-related Kinase 1 (NEK1)
Descriptor: CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK1
Authors:Elkins, J.M, Hanchuk, T.D.M, Lovato, D.V, Basei, F.L, Meirelles, G.V, Kobarg, J, Szklarz, M, Vollmar, M, Mahajan, P, Rellos, P, Zhang, Y, Krojer, T, Pike, A.C.W, Bountra, C, Arrowsmith, C, Edwards, A, Knapp, S.
Deposit date:2012-04-02
Release date:2012-04-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:NEK1 kinase domain structure and its dynamic protein interactome after exposure to Cisplatin.
Sci Rep, 7, 2017
4A8X
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BU of 4a8x by Molmil
Structure of the core ASAP complex
Descriptor: HISTONE DEACETYLASE COMPLEX SUBUNIT SAP18, HOOK-LIKE, ISOFORM A, ...
Authors:Murachelli, A.G, Ebert, J, Basquin, C, Le Hir, H, Conti, E.
Deposit date:2011-11-21
Release date:2012-03-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Structure of the Asap Core Complex Reveals the Existence of a Pinin-Containing Psap Complex
Nat.Struct.Mol.Biol., 19, 2012
4BNE
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BU of 4bne by Molmil
Pacsin2 Interacts with Membranes and Actin-Filaments
Descriptor: PROTEIN KINASE C AND CASEIN KINASE SUBSTRATE IN NEURONS PROTEIN 2, SULFATE ION, TRIETHYLENE GLYCOL
Authors:Kostan, J, Salzer, U, Orlova, A, Toeroe, I, Hodnik, V, Schreiner, C, Merilainen, J, Nikki, M, Virtanen, I, Lehto, V.-P, Anderluh, G, Egelman, E.H, Djinovic-Carugo, K.
Deposit date:2013-05-15
Release date:2014-05-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Direct Interaction of Actin Filaments with F-Bar Protein Pacsin2.
Embo Rep., 15, 2014
3FF8
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BU of 3ff8 by Molmil
Structure of NK cell receptor KLRG1 bound to E-cadherin
Descriptor: CALCIUM ION, Epithelial cadherin, Killer cell lectin-like receptor subfamily G member 1
Authors:Li, Y, Mariuzza, R.A.
Deposit date:2008-12-02
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of natural killer cell receptor KLRG1 bound to E-cadherin reveals basis for MHC-independent missing self recognition.
Immunity, 31, 2009
3ZLT
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BU of 3zlt by Molmil
Crystal structure of acetylcholinesterase in complex with RVX
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ...
Authors:Artursson, E, Andersson, P.O, Akfur, C, Linusson, A, Borjegren, S, Ekstrom, F.
Deposit date:2013-02-04
Release date:2013-03-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Catalytic-Site Conformational Equilibrium in Nerve-Agent Adducts of Acetylcholinesterase; Possible Implications for the Hi-6 Antidote Substrate Specificity.
Biochem.Pharmacol., 85, 2013

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