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4EFL
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BU of 4efl by Molmil
Crystal structure of H-Ras WT in complex with GppNHp (state 1)
Descriptor: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Muraoka, S, Shima, F, Araki, M, Inoue, T, Yoshimoto, A, Ijiri, Y, Seki, N, Tamura, A, Kumasaka, T, Yamamoto, M, Kataoka, T.
Deposit date:2012-03-30
Release date:2012-05-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of the state 1 conformations of the GTP-bound H-Ras protein and its oncogenic G12V and Q61L mutants
Febs Lett., 586, 2012
2HMC
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BU of 2hmc by Molmil
The Crystal Structure of Dihydrodipicolinate Synthase DapA from Agrobacterium tumefaciens
Descriptor: Dihydrodipicolinate synthase, MAGNESIUM ION
Authors:Kim, Y, Zhang, R, Xu, X, Zheng, H, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2006-07-11
Release date:2006-09-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Crystal Structure of Dihydrodipicolinate Synthase DapA from Agrobacterium tumefaciens
To be Published, 2006
2PMN
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BU of 2pmn by Molmil
Crystal structure of PfPK7 in complex with an ATP-site inhibitor
Descriptor: 4-(6-{[(1S)-1-(HYDROXYMETHYL)-2-METHYLPROPYL]AMINO}IMIDAZO[1,2-B]PYRIDAZIN-3-YL)BENZONITRILE, Ser/Thr protein kinase, putative
Authors:Merckx, A, Echalier, A, Noble, M, Endicott, J.
Deposit date:2007-04-23
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of P. falciparum protein kinase 7 identify an activation motif and leads for inhibitor design.
Structure, 16, 2008
3HMK
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BU of 3hmk by Molmil
Crystal Structure of Serine Racemase
Descriptor: MANGANESE (II) ION, PYRIDOXAL-5'-PHOSPHATE, Serine racemase
Authors:Smith, M.A, Barker, J, Mack, V, Ebneth, A, Felicetti, B, Woods, M.
Deposit date:2009-05-29
Release date:2010-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of mammalian serine racemase: evidence for conformational changes upon inhibitor binding.
J.Biol.Chem., 285, 2010
1TE1
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BU of 1te1 by Molmil
Crystal structure of family 11 xylanase in complex with inhibitor (XIP-I)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, endo-1,4-xylanase, ...
Authors:Payan, F, Leone, P, Furniss, C, Tahir, T, Durand, A, Porciero, S, Manzanares, P, Williamson, G, Gilbert, H.J, Juge, N, Roussel, A.
Deposit date:2004-05-24
Release date:2004-07-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Dual Nature of the Wheat Xylanase Protein Inhibitor XIP-I: STRUCTURAL BASIS FOR THE INHIBITION OF FAMILY 10 AND FAMILY 11 XYLANASES.
J.Biol.Chem., 279, 2004
5FJY
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BU of 5fjy by Molmil
Crystal structure of mouse kinesin light chain 2 (residues 161-480)
Descriptor: KINESIN LIGHT CHAIN 2, UNKNOWN PEPTIDE
Authors:Pernigo, S, Yip, Y.Y, Sanger, A, Xu, M, Dodding, M.P, Steiner, R.A.
Deposit date:2015-10-14
Release date:2016-02-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (4 Å)
Cite:The Light Chains of Kinesin-1 are Autoinhibited.
Proc.Natl.Acad.Sci.USA, 113, 2016
4LPU
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BU of 4lpu by Molmil
Crystal structure of TENCON variant P40AR2-32R2
Descriptor: TENCON variant P40AR2-32R2
Authors:Teplyakov, A, Obmolova, G, Gilliland, G.L.
Deposit date:2013-07-16
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:C-terminal beta-strand swapping in a consensus-derived fibronectin Type III scaffold.
Proteins, 82, 2014
3HVG
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BU of 3hvg by Molmil
Structure of bace (beta secretase) in Complex with EV0
Descriptor: 2-amino-6-propylpyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL
Authors:Godemann, R, Madden, J, Kramer, J, Smith, M.A, Barker, J, Ebneth, A.
Deposit date:2009-06-16
Release date:2009-11-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Fragment-Based Discovery of BACE1 Inhibitors Using Functional Assays
Biochemistry, 48, 2009
1SU9
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BU of 1su9 by Molmil
Reduced structure of the soluble domain of ResA
Descriptor: Thiol-disulfide oxidoreductase resA
Authors:Crow, A, Acheson, R.M, Le Brun, N.E, Oubrie, A.
Deposit date:2004-03-26
Release date:2004-05-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Basis of Redox-coupled Protein Substrate Selection by the Cytochrome c Biosynthesis Protein ResA.
J.Biol.Chem., 279, 2004
3ZC6
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BU of 3zc6 by Molmil
Crystal structure of JAK3 kinase domain in complex with an indazole substituted pyrrolopyrazine inhibitor
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxidanylidene-propan-2-yl]-2-(6-fluoranyl-1-methyl-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, ...
Authors:Kuglstatter, A, Jestel, A, Nagel, S, Boettcher, J, Blaesse, M.
Deposit date:2012-11-16
Release date:2013-09-25
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Strategic Use of Conformational Bias and Structure Based Design to Identify Potent Jak3 Inhibitors with Improved Selectivity Against the Jak Family and the Kinome.
Bioorg.Med.Chem.Lett., 23, 2013
8SBM
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BU of 8sbm by Molmil
Crystal structure of the wild-type Catalytic ATP-binding domain of Mtb DosS
Descriptor: 1,2-ETHANEDIOL, GAF domain-containing protein, SODIUM ION, ...
Authors:Larson, G, Shi, K, Aihara, H, Bhagi-Damodaran, A.
Deposit date:2023-04-03
Release date:2023-11-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Understanding ATP Binding to DosS Catalytic Domain with a Short ATP-Lid.
Biochemistry, 62, 2023
5IPK
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BU of 5ipk by Molmil
Structure of the R432A variant of Adeno-associated virus type 2 VLP
Descriptor: Capsid protein VP1
Authors:Drouin, L.M, Lins, B, Janssen, M.E, Bennet, A, Chipman, P, McKenna, R, Chen, W, Muzyczka, N, Cardone, G, Baker, T.S, Agbandje-McKenna, M.
Deposit date:2016-03-09
Release date:2016-07-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-electron Microscopy Reconstruction and Stability Studies of the Wild Type and the R432A Variant of Adeno-associated Virus Type 2 Reveal that Capsid Structural Stability Is a Major Factor in Genome Packaging.
J.Virol., 90, 2016
4NV8
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BU of 4nv8 by Molmil
Crystal Structure of Mesorhizobium Loti Arylamine N-acetyltransferase F42W Mutant
Descriptor: Arylamine N-acetyltransferase
Authors:Xu, X.M, Haouz, A, Weber, P, Li de la sierra-gallay, I, Kubiak, X, Dupret, J.-M, Rodrigues-lima, F.
Deposit date:2013-12-05
Release date:2015-01-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Insight into cofactor recognition in arylamine N-acetyltransferase enzymes: structure of Mesorhizobium loti arylamine N-acetyltransferase in complex with coenzyme A.
Acta Crystallogr.,Sect.D, 71, 2015
8P6Y
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BU of 8p6y by Molmil
Cryo-EM structure of CAK in complex with nucleotide analogue ATPgS
Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
Authors:Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J.
Deposit date:2023-05-30
Release date:2023-08-30
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (1.9 Å)
Cite:High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
1TD0
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BU of 1td0 by Molmil
Viral capsid protein SHP at pH 5.5
Descriptor: Head decoration protein
Authors:Chang, C, Forrer, P, Ott, D, Wlodawer, A, Plueckthun, A.
Deposit date:2004-05-21
Release date:2004-11-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Kinetic Stability and Crystal Structure of the Viral Capsid Protein SHP
J.Mol.Biol., 344, 2004
1TDW
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BU of 1tdw by Molmil
Crystal structure of double truncated human phenylalanine hydroxylase BH4-responsive PKU mutant A313T.
Descriptor: FE (III) ION, Phenylalanine-4-hydroxylase
Authors:Erlandsen, H, Pey, A.L, Gamez, A, Perez, B, Desviat, L.R, Aguado, C, Koch, R, Surendran, S, Tyring, S, Matalon, R, Scriver, C.R, Ugarte, M, Martinez, A, Stevens, R.C.
Deposit date:2004-05-24
Release date:2004-11-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Correction of kinetic and stability defects by tetrahydrobiopterin in phenylketonuria patients with certain phenylalanine hydroxylase mutations.
Proc.Natl.Acad.Sci.Usa, 101, 2004
4O22
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BU of 4o22 by Molmil
Binary complex of metal-free PKAc with SP20.
Descriptor: Phosphorylated peptide pSP20., cAMP-dependent protein kinase catalytic subunit alpha.
Authors:Das, A, Kovalevsky, A.Y, Gerlits, O, Langan, P, Heller, W.T, Keshwani, M, Taylor, S.S.
Deposit date:2013-12-16
Release date:2014-05-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
8P7A
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BU of 8p7a by Molmil
Crystal structure of the ORD domain of human ORP8
Descriptor: Oxysterol-binding protein-related protein 8
Authors:Eisenreichova, A, Klima, M, Boura, E.
Deposit date:2023-05-30
Release date:2023-08-23
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Crystal Structure of the ORP8 Lipid Transport ORD Domain: Model of Lipid Transport.
Cells, 12, 2023
3X0W
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BU of 3x0w by Molmil
Crystal structure of PLEKHM1 LIR-fused human LC3B_2-119
Descriptor: Microtubule-associated proteins 1A/1B light chain 3B
Authors:Suzuki, H, McEwan, D.G, Popovic, D, Gubas, A, Terawaki, S, Stadel, D, Coxon, F, Stegmann, D.M, Bhogaraju, S, Maddi, K, Kirchhoff, A, Gatti, E, Helfrich, M.H, Behrends, C, Pierre, P, Dikic, I, Wakatsuki, S.
Deposit date:2014-10-22
Release date:2015-01-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:PLEKHM1 regulates autophagosome-lysosome fusion through HOPS complex and LC3/GABARAP proteins.
Mol.Cell, 57, 2015
1UXO
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BU of 1uxo by Molmil
The crystal structure of the ydeN gene product from B. subtilis
Descriptor: Putative hydrolase YdeN
Authors:Janda, I.K, Devedjiev, Y, Cooper, D.R, Chruszcz, M, Derewenda, U, Gabrys, A, Minor, W, Joachimiak, A, Derewenda, Z.S, Midwest Center for Structural Genomics (MCSG)
Deposit date:2004-02-27
Release date:2004-05-27
Last modified:2022-05-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Harvesting the high-hanging fruit: the structure of the YdeN gene product from Bacillus subtilis at 1.8 angstroms resolution.
Acta Crystallogr. D Biol. Crystallogr., 60, 2004
1B37
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BU of 1b37 by Molmil
A 30 ANGSTROM U-SHAPED CATALYTIC TUNNEL IN THE CRYSTAL STRUCTURE OF POLYAMINE OXIDASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, PROTEIN (POLYAMINE OXIDASE), ...
Authors:Binda, C, Coda, A, Angelini, R, Federico, R, Ascenzi, P, Mattevi, A.
Deposit date:1998-12-17
Release date:1999-12-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A 30-angstrom-long U-shaped catalytic tunnel in the crystal structure of polyamine oxidase.
Structure Fold.Des., 7, 1999
8P97
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BU of 8p97 by Molmil
BtuB3G3 bound to cyanocobalamin with disordered EL8
Descriptor: CYANOCOBALAMIN, Putative surface layer protein, TonB-dependent receptor
Authors:Silale, A, Abellon-Ruiz, J, van den Berg, B.
Deposit date:2023-06-05
Release date:2023-08-16
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:BtuB TonB-dependent transporters and BtuG surface lipoproteins form stable complexes for vitamin B 12 uptake in gut Bacteroides.
Nat Commun, 14, 2023
4C9W
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BU of 4c9w by Molmil
Crystal structure of NUDT1 (MTH1) with R-crizotinib
Descriptor: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, CHLORIDE ION, ...
Authors:Elkins, J.M, Salah, E, Huber, K, Superti-Furga, G, Abdul Azeez, K.R, Raynor, J, Krojer, T, von Delft, F, Bountra, C, Edwards, A, Knapp, S.
Deposit date:2013-10-03
Release date:2014-04-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Stereospecific Targeting of Mth1 by (S)-Crizotinib as an Anticancer Strategy.
Nature, 508, 2014
1NXP
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BU of 1nxp by Molmil
MicArec pH4.5
Descriptor: DNA-binding response regulator, PHOSPHONIC ACID
Authors:Bent, C.J, Isaacs, N.W, Mitchell, T.J, Riboldi-Tunnicliffe, A.
Deposit date:2003-02-11
Release date:2004-02-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal structure of the response regulator 02 receiver domain, the essential YycF two-component system of Streptococcus pneumoniae in both complexed and native states.
J.Bacteriol., 186, 2004
8P6V
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BU of 8p6v by Molmil
Cryo-EM structure of CAK in complex with inhibitor ICEC0942
Descriptor: (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ...
Authors:Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J.
Deposit date:2023-05-30
Release date:2023-08-30
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (1.9 Å)
Cite:High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024

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