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3G9N
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JNK3 bound to (Z)-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)-4-phenylindolin-2-one
Descriptor: (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime, Mitogen-activated protein kinase 10
Authors:Jacobs, M.D.
Deposit date:2009-02-13
Release date:2009-02-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
1W20
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Structure of Neuraminidase from English duck subtype N6 complexed with 30 mM sialic acid (NANA, Neu5Ac), crystal soaked for 3 hours at 291 K
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Rudino-Pinera, E, Tunnah, P, Crennell, S.J, Webster, R.G, Laver, W.G, Garman, E.F.
Deposit date:2004-06-24
Release date:2006-01-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:The Crystal Structure of Type a Influenza Virus Neuraminidase of the N6 Subtype Reveals the Existence of Two Separate Neu5Ac Binding Sites
To be Published
1W92
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BU of 1w92 by Molmil
The structure of carbomonoxy murine neuroglobin reveals a heme- sliding mechanism for affinity regulation
Descriptor: CARBON MONOXIDE, NEUROGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Vallone, B, Nienhaus, K, Matthes, A, Brunori, M, Nienhaus, G.U.
Deposit date:2004-10-05
Release date:2004-11-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Structure of Carbonmonoxy Neuroglobin Reveals a Heme-Sliding Mechanism for Control of Ligand Affinity
Proc.Natl.Acad.Sci.USA, 101, 2004
1W2R
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BU of 1w2r by Molmil
Solution structure of CR2 SCR 1-2 by X-ray scattering
Descriptor: COMPLEMENT RECEPTOR TYPE 2 PRECURSOR,
Authors:Gilbert, H.E, Hannan, J.P, Holers, V.M, Perkins, S.J.
Deposit date:2004-07-08
Release date:2005-09-29
Last modified:2024-05-08
Method:SOLUTION SCATTERING
Cite:Solution Structure of the Complex between Cr2 Scr 1-2 and C3D of Human Complement: An X-Ray Scattering and Sedimentation Modelling Study.
J.Mol.Biol., 346, 2005
8IYX
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BU of 8iyx by Molmil
Cryo-EM structure of the GPR34 receptor in complex with the antagonist YL-365
Descriptor: 1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid, Probable G-protein coupled receptor 34,YL-365
Authors:Jia, G.W, Wang, X, Zhang, C.B, Dong, H.H, Su, Z.M.
Deposit date:2023-04-06
Release date:2024-03-20
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023
1JW8
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BU of 1jw8 by Molmil
1.3 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF P6 FORM OF MYOGLOBIN
Descriptor: CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Phillips Jr, G.N.
Deposit date:2001-09-03
Release date:2001-10-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Sampling of the native conformational ensemble of myoglobin via structures in different crystalline environments.
Proteins, 70, 2008
2DA3
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BU of 2da3 by Molmil
Solution structure of the third homeobox domain of AT-binding transcription factor 1 (ATBF1)
Descriptor: Alpha-fetoprotein enhancer binding protein
Authors:Ohnishi, S, Kigawa, T, Tomizawa, T, Koshiba, S, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-12-13
Release date:2006-06-13
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the third homeobox domain of AT-binding transcription factor 1 (ATBF1)
To be Published
3VN9
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Rifined Crystal structure of non-phosphorylated MAP2K6 in a putative auto-inhibition state
Descriptor: 9-{5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-beta-L-ribofuranosyl}-9H-purin-6-amine, Dual specificity mitogen-activated protein kinase kinase 6, MAGNESIUM ION
Authors:Kinoshita, T, Matsuzaka, H, Nakai, R, Kirii, Y, Yokota, K, Tada, T, Matsumoto, T.
Deposit date:2012-01-05
Release date:2012-02-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of non-phosphorylated MAP2K6 in a putative auto-inhibition state
J.Biochem., 151, 2012
1W6I
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plasmepsin II-pepstatin A complex
Descriptor: PEPSTATIN, PLASMEPSIN 2 PRECURSOR
Authors:Lindberg, J, Johansson, P.-O, Rosenquist, A, Kvarnstroem, I, Vrang, L, Samuelsson, B, Unge, T.
Deposit date:2004-08-18
Release date:2006-07-05
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Study of a Novel Inhibitor with Bulky P1 Side Chain in Complex with Plasmepsin II -Implications for Drug Design
To be Published
2D9H
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BU of 2d9h by Molmil
Solution structure of the forth and fifth zf-C2H2 domains of zinc finger protein 692
Descriptor: ZINC ION, Zinc finger protein 692
Authors:Zhang, H.P, Nagasima, T, Hayashi, F, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-12-09
Release date:2006-06-09
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the forth and fifth zf-C2H2 domains of zinc finger protein 692
to be published
1WAK
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BU of 1wak by Molmil
X-ray structure of SRPK1
Descriptor: 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE SPRK1
Authors:Ngo, J.C, Gullingsrud, J, Chakrabarti, S, Nolen, B, Aubol, B.E, Fu, X.D, Adams, J.A, Mccammon, J.A, Ghosh, G.
Deposit date:2004-10-26
Release date:2006-07-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Sr Protein Kinase 1 is Resilient to Inactivation.
Structure, 15, 2007
3GFE
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BU of 3gfe by Molmil
Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Pyrazolopyridinone Inhibitor
Descriptor: Mitogen-activated protein kinase 14, N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide
Authors:Mohr, C, Jordan, S.
Deposit date:2009-02-26
Release date:2009-07-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Part 1: Structure-Activity Relationship (SAR) investigations of fused pyrazoles as potent, selective and orally available inhibitors of p38alpha mitogen-activated protein kinase.
Bioorg.Med.Chem.Lett., 19, 2009
1JVP
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Crystal structure of human CDK2 (unphosphorylated) in complex with PKF049-365
Descriptor: 3-pyridin-4-yl-2,4-dihydroindeno[1,2-c]pyrazole, Cell division protein kinase 2
Authors:Rondeau, J.M.
Deposit date:2001-08-31
Release date:2001-12-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structure-based design and protein X-ray analysis of a protein kinase inhibitor.
Bioorg.Med.Chem.Lett., 12, 2002
2D2N
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Structure of an extracellular giant hemoglobin of the gutless beard worm Oligobrachia mashikoi
Descriptor: Giant hemoglobin, A1(b) globin chain, A2(a5) globin chain, ...
Authors:Numoto, N, Nakagawa, T, Kita, A, Sasayama, Y, Fukumori, Y, Miki, K.
Deposit date:2005-09-12
Release date:2005-10-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of an extracellular giant hemoglobin of the gutless beard worm Oligobrachia mashikoi.
Proc.Natl.Acad.Sci.USA, 102, 2005
1JVU
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CRYSTAL STRUCTURE OF RIBONUCLEASE A (COMPLEXED FORM)
Descriptor: CYTIDINE-2'-MONOPHOSPHATE, RIBONUCLEASE A
Authors:Vitagliano, L, Merlino, A, Zagari, A, Mazzarella, L.
Deposit date:2001-08-31
Release date:2002-06-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Reversible Substrate-Induced Domain Motions in Ribonuclease A
Proteins, 46, 2002
1JWI
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Crystal Structure of Bitiscetin, a von Willeband Factor-dependent Platelet Aggregation Inducer.
Descriptor: bitiscetin, platelet aggregation inducer
Authors:Hirotsu, S, Mizuno, H, Fukuda, K, Qi, M.C, Matsui, T, Hamako, J, Morita, T, Titani, K.
Deposit date:2001-09-04
Release date:2001-11-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of bitiscetin, a von Willebrand factor-dependent platelet aggregation inducer.
Biochemistry, 40, 2001
1VMP
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BU of 1vmp by Molmil
STRUCTURE OF THE ANTI-HIV CHEMOKINE VMIP-II
Descriptor: PROTEIN (ANTI-HIV CHEMOKINE MIP VII)
Authors:Liwang, A.C, Wang, Z.-X, Sun, Y, Peiper, S.C, Liwang, P.J.
Deposit date:1999-03-25
Release date:1999-11-24
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:The solution structure of the anti-HIV chemokine vMIP-II.
Protein Sci., 8, 1999
1JWO
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BU of 1jwo by Molmil
Crystal Structure Analysis of the SH2 Domain of the Csk Homologous Kinase CHK
Descriptor: Csk Homologous Kinase
Authors:Murthy, T.V.S, Webster, G.D.
Deposit date:2001-09-04
Release date:2001-09-12
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Recognition of the HER-2/neu Receptor by the SH2 Domain of the Csk Homologous Kinase
To be Published
1K1B
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BU of 1k1b by Molmil
Crystal structure of the ankyrin repeat domain of Bcl-3: a unique member of the IkappaB protein family
Descriptor: B-cell lymphoma 3-encoded protein
Authors:Michel, F, Soler-Lopez, M, Petosa, C, Cramer, P, Siebenlist, U, Mueller, C.W.
Deposit date:2001-09-24
Release date:2001-11-21
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the ankyrin repeat domain of Bcl-3: a unique member of the IkappaB protein family.
EMBO J., 20, 2001
1VPL
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BU of 1vpl by Molmil
Crystal structure of ABC transporter ATP-binding protein (TM0544) from Thermotoga maritima at 2.10 A resolution
Descriptor: ABC transporter, ATP-binding protein, SULFATE ION
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2004-11-10
Release date:2004-11-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of ABC transporter ATP-binding protein (TM0544) from Thermotoga maritima at 2.10 A resolution
To be published
3W2C
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BU of 3w2c by Molmil
Structure of Aurora kinase A complexed to benzoimidazole-indazole inhibitor XV
Descriptor: 2-{4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-1-yl}-N-(3-methylbutyl)acetamide, Aurora kinase A
Authors:Oliveira, T.M, Kairies, N.A, Engh, R.A.
Deposit date:2012-11-28
Release date:2014-02-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Flexibility and multiple conformations of the activation and glycine rich loops of aurora A accompanying inhibitor binding
To be Published
2D2E
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BU of 2d2e by Molmil
Crystal structure of atypical cytoplasmic ABC-ATPase SufC from Thermus thermophilus HB8
Descriptor: CHLORIDE ION, GLYCEROL, SufC protein
Authors:Watanabe, S, Kita, A, Miki, K, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-09-08
Release date:2005-10-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Atypical Cytoplasmic ABC-ATPase SufC from Thermus thermophilus HB8.
J.Mol.Biol., 353, 2005
3VC4
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Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Descriptor: (5Z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione, IMIDAZOLE, Serine/threonine-protein kinase pim-1
Authors:Liu, J.
Deposit date:2012-01-03
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
3FYJ
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Crystal structure of an optimzied benzothiophene inhibitor bound to MAPKAP Kinase-2 (MK-2)
Descriptor: (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one, MAP kinase-activated protein kinase 2
Authors:Kurumbail, R.G, Caspers, N.
Deposit date:2009-01-22
Release date:2009-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Benzothiophene inhibitors of MK2. Part 2: improvements in kinase selectivity and cell potency.
Bioorg.Med.Chem.Lett., 19, 2009
2D91
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Structure of HYPER-VIL-lysozyme
Descriptor: IODIDE ION, Lysozyme C
Authors:Miyatake, H, Hasegawa, T, Yamano, A.
Deposit date:2005-12-08
Release date:2006-07-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:New methods to prepare iodinated derivatives by vaporizing iodine labelling (VIL) and hydrogen peroxide VIL (HYPER-VIL)
ACTA CRYSTALLOGR.,SECT.D, 62, 2006

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