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2BAL
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BU of 2bal by Molmil
p38alpha MAP kinase bound to pyrazoloamine
Descriptor: Mitogen-activated protein kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE
Authors:Gerhardt, S, Pauptit, R.A, Read, J, Tucker, J, Norman, R.A, Breed, J.
Deposit date:2005-10-14
Release date:2005-12-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase.
Biochemistry, 44, 2005
2BAK
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BU of 2bak by Molmil
p38alpha MAP kinase bound to MPAQ
Descriptor: Mitogen-activated protein kinase 14, N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE
Authors:Gerhardt, S, Breed, J, Pauptit, R.A, Read, J, Norman, R.A, Ward, W.H.
Deposit date:2005-10-14
Release date:2005-12-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase
Biochemistry, 44, 2005
2BAJ
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BU of 2baj by Molmil
p38alpha bound to pyrazolourea
Descriptor: 1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2,3-dichlorophenyl)urea, Mitogen-activated protein kinase 14
Authors:Gerhardt, S, Pauptit, R.A, Read, J, Breed, J, Norman, R.A, Ward, W.H.
Deposit date:2005-10-14
Release date:2005-12-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase
Biochemistry, 44, 2005
2BAQ
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BU of 2baq by Molmil
p38alpha bound to Ro3201195
Descriptor: Mitogen-activated protein kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE
Authors:Gerhardt, S, Pauptit, R.A, Breed, J, Read, J, Tucker, J, Norman, R.A.
Deposit date:2005-10-14
Release date:2005-12-06
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase.
Biochemistry, 44, 2005
2AZU
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BU of 2azu by Molmil
X-RAY CRYSTAL STRUCTURE OF THE TWO SITE-SPECIFIC MUTANTS HIS35*GLN AND HIS35*LEU OF AZURIN FROM PSEUDOMONAS AERUGINOSA
Descriptor: AZURIN, COPPER (II) ION, NITRATE ION
Authors:Nar, H, Messerschmidt, A, Huber, R.
Deposit date:1991-01-11
Release date:1993-07-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray crystal structure of the two site-specific mutants His35Gln and His35Leu of azurin from Pseudomonas aeruginosa.
J.Mol.Biol., 218, 1991
2DVP
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BU of 2dvp by Molmil
Structure of NTPase from Pyroccous horikoshii
Descriptor: Hypothetical protein PH1917
Authors:Lokanath, N.K, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-07-31
Release date:2007-09-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of dimeric nonstandard nucleotide triphosphate pyrophosphatase from Pyrococcus horikoshii OT3: functional significance of interprotomer conformational changes
J.Mol.Biol., 375, 2008
2DGB
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BU of 2dgb by Molmil
Structure of Thermus thermophilus PurS in the P21 Form
Descriptor: hypothetical protein PurS
Authors:Yanai, H, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-03-10
Release date:2006-09-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Thermus thermophilus PurS, One of the Subunits of Formylglycinamide Ribonucleotide Amidotransferase in the Purine Biosynthetic Pathway
To be published
2DVN
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BU of 2dvn by Molmil
Structure of PH1917 protein with the complex of IMP from Pyrococcus horikoshii
Descriptor: GLYCEROL, Hypothetical protein PH1917, INOSINIC ACID, ...
Authors:Lokanath, N.K, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-07-31
Release date:2007-09-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of dimeric nonstandard nucleotide triphosphate pyrophosphatase from Pyrococcus horikoshii OT3: functional significance of interprotomer conformational changes
J.Mol.Biol., 375, 2008
4MKC
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BU of 4mkc by Molmil
Crystal Structure of Anaplastic Lymphoma Kinase Complexed with LDK378
Descriptor: 5-chloro-N~2~-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine, ALK tyrosine kinase receptor, GLYCEROL
Authors:Lee, C.C, Spraggon, G.
Deposit date:2013-09-04
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:The ALK Inhibitor Ceritinib Overcomes Crizotinib Resistance in Non-Small Cell Lung Cancer.
Cancer Discov, 4, 2014
7RP3
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BU of 7rp3 by Molmil
Crystal structure of GNE-1952 alkylated KRAS G12C in complex with 2H11 CLAMP
Descriptor: 1,2-ETHANEDIOL, 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GLYCEROL, ...
Authors:Oh, A, Tam, C, Wang, W.
Deposit date:2021-08-03
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
7RP2
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BU of 7rp2 by Molmil
Crystal structure of Kas G12C in complex with 2H11 CLAMP
Descriptor: 1,2-ETHANEDIOL, CACODYLATE ION, GTPase KRas, ...
Authors:Oh, A, Tam, C, Wang, W.
Deposit date:2021-08-03
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
5UCX
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BU of 5ucx by Molmil
Structure of S78C Human Peroxiredoxin 3 as three stacked rings
Descriptor: Thioredoxin-dependent peroxide reductase, mitochondrial
Authors:Yewdall, N.A, Gerrard, J.A, Goldstone, G.C.
Deposit date:2016-12-22
Release date:2018-01-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Quaternary structure influences the peroxidase activity of peroxiredoxin 3.
Biochem. Biophys. Res. Commun., 497, 2018
6F2N
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BU of 6f2n by Molmil
Crystal structure of BCII Metallo-beta-lactamase in complex with KDU197
Descriptor: (~{Z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid, Metallo-beta-lactamase type 2, SULFATE ION, ...
Authors:McDonough, M.A, El-Hussein, A, Schofield, C.J, Zhang, D, Brem, J.
Deposit date:2017-11-24
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.149 Å)
Cite:Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
1D5M
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BU of 1d5m by Molmil
X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH PEPTIDE AND SEB
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENTEROTOXIN TYPE B, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, ...
Authors:Swain, A.L, Crowther, R, Kammlott, U.
Deposit date:1999-10-07
Release date:2000-06-28
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures.
J.Med.Chem., 43, 2000
5UAV
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BU of 5uav by Molmil
Structure of human PYCR-1 complexed with NADPH and L-tetrahydrofuroic acid
Descriptor: DI(HYDROXYETHYL)ETHER, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pyrroline-5-carboxylate reductase 1, ...
Authors:Tanner, J.J.
Deposit date:2016-12-20
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Resolving the cofactor-binding site in the proline biosynthetic enzyme human pyrroline-5-carboxylate reductase 1.
J. Biol. Chem., 292, 2017
5TS5
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BU of 5ts5 by Molmil
Crystal structure of L-amino acid oxidase from Bothrops atrox
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Feliciano, P.R, Nonato, M.C.
Deposit date:2016-10-27
Release date:2017-04-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure and molecular dynamics studies of L-amino acid oxidase from Bothrops atrox.
Toxicon, 128, 2017
5UAX
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BU of 5uax by Molmil
Structure of apo human PYCR-1 crystallized in space group C2
Descriptor: CHLORIDE ION, Pyrroline-5-carboxylate reductase 1, mitochondrial
Authors:Tanner, J.J.
Deposit date:2016-12-20
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Resolving the cofactor-binding site in the proline biosynthetic enzyme human pyrroline-5-carboxylate reductase 1.
J. Biol. Chem., 292, 2017
5UDA
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BU of 5uda by Molmil
Crystal structure of CYP2B6 (Y226H/K262R) in complex with a monoterpene bornane
Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, CAMPHANE, Cytochrome P450 2B6, ...
Authors:Shah, M.B, Halpert, J.R.
Deposit date:2016-12-24
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity.
ACS Chem. Biol., 12, 2017
7RAR
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BU of 7rar by Molmil
Structure of Q67H mutant of disulfide stabilized HIV-1 CA hexamer
Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION
Authors:Bester, S.M, Kvaratskhelia, M.
Deposit date:2021-07-02
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
2F46
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BU of 2f46 by Molmil
Crystal structure of a putative phosphatase (nma1982) from neisseria meningitidis z2491 at 1.41 A resolution
Descriptor: CHLORIDE ION, UNKNOWN LIGAND, hypothetical protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2005-11-22
Release date:2006-02-07
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Crystal structure of NMA1982 from Neisseria meningitidis at 1.5 A resolution provides a structural scaffold for nonclassical, eukaryotic-like phosphatases.
Proteins, 69, 2007
4NYJ
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BU of 4nyj by Molmil
Approach for Targeting Ras with Small Molecules that Activate SOS-Mediated Nucleotide Exchange
Descriptor: GTPase HRas, MAGNESIUM ION, N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]glycinamide, ...
Authors:Burns, M.C, Sun, Q, Phan, J, Fesik, S.W.
Deposit date:2013-12-10
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8522 Å)
Cite:Approach for targeting Ras with small molecules that activate SOS-mediated nucleotide exchange.
Proc.Natl.Acad.Sci.USA, 111, 2014
7RJ2
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BU of 7rj2 by Molmil
Co-crystal structure of lenacapavir bound to Q67H/N74D mutant of disulfide stabilized HIV-1 CA hexamer
Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION, ...
Authors:Bester, S.M, Kvaratskhelia, M.
Deposit date:2021-07-20
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
7RJ4
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BU of 7rj4 by Molmil
Co-crystal structure of lenacapavir bound to N74D mutant of disulfide stabilized HIV-1 CA hexamer
Descriptor: CAPSID PROTEIN P24, CHLORIDE ION, IODIDE ION, ...
Authors:Bester, S.M, Kvaratskhelia, M.
Deposit date:2021-07-20
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
7RHN
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BU of 7rhn by Molmil
Co-crystal structure of Q67H mutant of disulfide stabilized HIV-1 CA hexamer and lenacapavir
Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION, ...
Authors:Bester, S.M, Kvaratskhelia, M.
Deposit date:2021-07-17
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
7RHM
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BU of 7rhm by Molmil
Structure of Q67H/N74D mutant of disulfide stabilized HIV-1 CA hexamer
Descriptor: CAPSID PROTEIN P24, CHLORIDE ION, IODIDE ION
Authors:Bester, S.M, Kvaratskhelia, M.
Deposit date:2021-07-17
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022

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