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1WBP
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BU of 1wbp by Molmil
SRPK1 bound to 9mer docking motif peptide
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, MEMBRANE-ASSOCIATED GUANYLATE KINASE, ...
Authors:Ngo, J.C, Gullinsgrud, J, Chakrabarti, S, Nolen, B, Aubol, B.E, Fu, X.-D, Adams, J.A, McCammon, J.A, Ghosh, G.
Deposit date:2004-11-04
Release date:2005-10-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Interplay between Srpk and Clk/Sty Kinases in Phosphorylation of the Splicing Factor Asf/Sf2 is Regulated by a Docking Motif in Asf/Sf2
Mol.Cell, 20, 2005
5DR9
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BU of 5dr9 by Molmil
Aurora A Kinase in Complex with AA29 and JNJ-7706621 in Space Group P6122
Descriptor: 2-(3-bromophenyl)-6-chloroquinoline-4-carboxylic acid, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A
Authors:Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R.
Deposit date:2015-09-15
Release date:2016-07-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
5DPV
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BU of 5dpv by Molmil
Aurora A Kinase in Complex with AA35 and JNJ-7706621 in Space Group P6122
Descriptor: 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A
Authors:Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R.
Deposit date:2015-09-14
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.285 Å)
Cite:Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
1V4X
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BU of 1v4x by Molmil
Crystal structure of bluefin tuna hemoglobin deoxy form at pH5.0
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, hemoglobin alpha chain, hemoglobin beta chain
Authors:Yokoyama, T, Chong, K.T, Miyazaki, Y, Nakatsukasa, T, Unzai, S, Miyazaki, G, Morimoto, H, Jeremy, R.H.T, Park, S.Y.
Deposit date:2003-11-19
Release date:2004-07-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Novel Mechanisms of pH Sensitivity in Tuna Hemoglobin: A STRUCTURAL EXPLANATION OF THE ROOT EFFECT
J.Biol.Chem., 279, 2004
1V5I
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BU of 1v5i by Molmil
Crystal structure of serine protease inhibitor POIA1 in complex with subtilisin BPN'
Descriptor: CALCIUM ION, GLYCEROL, IA-1=serine proteinase inhibitor, ...
Authors:Lee, W.C, Kikkawa, M, Kojima, S, Miura, K, Tanokura, M.
Deposit date:2003-11-24
Release date:2005-03-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of serine protease inhibitor POIA1 in complex with subtilisin BPN'
To be Published
8GNG
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BU of 8gng by Molmil
Crystal structure of human adenosine A2A receptor in complex with istradefylline.
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione, Adenosine receptor A2a, ...
Authors:Suzuki, M, Saito, J, Miyagi, H, Yasunaga, M.
Deposit date:2022-08-23
Release date:2023-03-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:In Vitro Pharmacological Profile of KW-6356, a Novel Adenosine A 2A Receptor Antagonist/Inverse Agonist.
Mol.Pharmacol., 103, 2023
1V0Z
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BU of 1v0z by Molmil
Structure of Neuraminidase from English duck subtype N6
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:2004-03-12
Release date:2006-01-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The Crystal Structure of Influenza Type a Virus Neuraminidase of the N6 Subtype at 1.85 A Resolution
To be Published
5DT0
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BU of 5dt0 by Molmil
Aurora A Kinase in Complex with JNJ-7706621 in Space Group P6122
Descriptor: 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A
Authors:Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R.
Deposit date:2015-09-17
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
1V7S
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BU of 1v7s by Molmil
Triclinic hen lysozyme crystallized at 313K from a D2O solution
Descriptor: Lysozyme C, NITRATE ION
Authors:Harata, K, Akiba, T.
Deposit date:2003-12-22
Release date:2004-04-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Phase transition of triclinic hen egg-white lysozyme crystal associated with sodium binding.
Acta Crystallogr.,Sect.D, 60, 2004
3TI1
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BU of 3ti1 by Molmil
CDK2 in complex with SUNITINIB
Descriptor: 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide
Authors:Alam, R, Schonbrunn, E.
Deposit date:2011-08-19
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2.
Chembiochem, 13, 2012
1V4U
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BU of 1v4u by Molmil
Crystal structure of bluefin tuna carbonmonoxy-hemoglobin
Descriptor: CARBON MONOXIDE, PROTOPORPHYRIN IX CONTAINING FE, hemoglobin alpha chain, ...
Authors:Yokoyama, T, Chong, K.T, Miyazaki, Y, Nakatsukasa, T, Unzai, S, Miyazaki, G, Morimoto, H, Jeremy, R.H.T, Park, S.Y.
Deposit date:2003-11-19
Release date:2004-07-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel Mechanisms of pH Sensitivity in Tuna Hemoglobin: A STRUCTURAL EXPLANATION OF THE ROOT EFFECT
J.Biol.Chem., 279, 2004
1V5H
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BU of 1v5h by Molmil
Crystal Structure of Human Cytoglobin (Ferric Form)
Descriptor: Cytoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sugimoto, H, Makino, M, Sawai, H, Kawada, N, Yoshizato, K, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-11-23
Release date:2004-06-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of human cytoglobin for ligand binding.
J.Mol.Biol., 339, 2004
5DN3
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BU of 5dn3 by Molmil
Aurora A in complex with ATP and AA35.
Descriptor: 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ...
Authors:Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G, Huggins, D, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.
Deposit date:2015-09-09
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
1UTI
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BU of 1uti by Molmil
Mona/Gads SH3C in complex with HPK derived peptide
Descriptor: GRB2-RELATED ADAPTOR PROTEIN 2, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE KINASE 1
Authors:Lewitzky, M, Harkiolaki, M, Domart, M.C, Feller, S.M.
Deposit date:2003-12-09
Release date:2004-05-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mona/Gads Sh3C Binding to Hematopoietic Progenitor Kinase 1 (Hpk1) Combines an Atypical SH3 Binding Motif, R/Kxxk, with a Classical Pxxp Motif Embedded in a Polyproline Type II (Ppii) Helix
J.Biol.Chem., 279, 2004
1UXM
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BU of 1uxm by Molmil
A4V mutant of human SOD1
Descriptor: COPPER (II) ION, SUPEROXIDE DISMUTASE [CU-ZN], ZINC ION
Authors:Hough, M.A, Grossmann, J.G, Antonyuk, S.V, Strange, R.W, Doucette, P.A, Rodriguez, J.A, Whitson, L.J, Hart, P.J, Hayward, L.J, Valentine, J.S, Hasnain, S.S.
Deposit date:2004-02-26
Release date:2004-03-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Dimer Destabilization in Superoxide Dismutase May Result in Disease-Causing Properties: Structures of Motor Neuron Disease Mutants
Proc.Natl.Acad.Sci.USA, 101, 2004
3VN9
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BU of 3vn9 by Molmil
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
5CU6
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BU of 5cu6 by Molmil
Crystal Structure of CK2alpha
Descriptor: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha
Authors:Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
Deposit date:2015-07-24
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
1V6D
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BU of 1v6d by Molmil
The crystal structure of the trypsin complex with synthetic heterochiral peptide
Descriptor: ACETATE ION, CALCIUM ION, METHYLAMINE, ...
Authors:Shamaladevi, N, Pattabhi, V.
Deposit date:2003-11-28
Release date:2004-12-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Secondary binding site of trypsin: revealed by crystal structure of trypsin-peptide complex.
J.Biomol.Struct.Dyn., 22, 2005
1UMR
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BU of 1umr by Molmil
Crystal structure of the platelet activator convulxin, a disulfide linked a4b4 cyclic tetramer from the venom of Crotalus durissus terrificus
Descriptor: CONVULXIN ALPHA, CONVULXIN BETA
Authors:Murakami, M.T, Zela, S.P, Gava, L.M, Michelan-Duarte, S, Cintra, A.C.O, Arni, R.K.
Deposit date:2003-08-28
Release date:2003-11-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the Platelet Activator Convulxin, a Disulfide Linked A4B4 Cyclic Tetramer from the Venom of Crotalus Durissus Terrificus
Biochem.Biophys.Res.Commun., 310, 2003
8GGM
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Locally refined cryoEM structure of receptor from beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #5 of 20)
Descriptor: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor
Authors:Papasergi-Scott, M.M, Skiniotis, G.
Deposit date:2023-03-08
Release date:2024-03-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
8GGX
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BU of 8ggx by Molmil
Locally refined cryoEM structure of receptor from beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #16 of 20)
Descriptor: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor
Authors:Papasergi-Scott, M.M, Skiniotis, G.
Deposit date:2023-03-08
Release date:2024-03-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
1URK
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BU of 1urk by Molmil
SOLUTION STRUCTURE OF THE AMINO TERMINAL FRAGMENT OF UROKINASE-TYPE PLASMINOGEN ACTIVATOR
Descriptor: PLASMINOGEN ACTIVATOR, alpha-L-fucopyranose
Authors:Hansen, A.P, Petros, A.M, Meadows, R.P, Nettesheim, D.G, Mazar, A.P, Olejniczak, E.T, Xu, R.X, Pederson, T.M, Henkin, J, Fesik, S.W.
Deposit date:1994-01-10
Release date:1995-05-08
Last modified:2020-07-29
Method:SOLUTION NMR
Cite:Solution structure of the amino-terminal fragment of urokinase-type plasminogen activator.
Biochemistry, 33, 1994
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
8GH0
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BU of 8gh0 by Molmil
Locally refined cryoEM structure of receptor from beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #19 of 20)
Descriptor: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor
Authors:Papasergi-Scott, M.M, Skiniotis, G.
Deposit date:2023-03-08
Release date:2024-03-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
3VBT
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BU of 3vbt by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Descriptor: 4-chloro-2-(1H-pyrazol-3-yl)phenol, Serine/threonine-protein kinase pim-1
Authors:Liu, J.
Deposit date:2012-01-02
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

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