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1ABO
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BU of 1abo by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF THE ABL TYROSINE KINASE SH3 DOMAIN WITH 3BP-1 SYNTHETIC PEPTIDE
分子名称: 3BP-1 SYNTHETIC PEPTIDE, 10 RESIDUES, ABL TYROSINE KINASE, ...
著者Musacchio, A, Wilmanns, M, Saraste, M.
登録日1995-05-19
公開日1995-10-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-resolution crystal structures of tyrosine kinase SH3 domains complexed with proline-rich peptides.
Nat.Struct.Biol., 1, 1994
5JQA
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BU of 5jqa by Molmil
CaM:RM20 complex
分子名称: CALCIUM ION, Calmodulin, Myosin light chain kinase, ...
著者Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M.
登録日2016-05-04
公開日2017-10-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献CaM:RM20 complex
To be Published
4YTO
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BU of 4yto by Molmil
Structure of coiled-coil domain of SYCP1
分子名称: GLYCEROL, Synaptonemal complex protein 1
著者park, H.H.
登録日2015-03-18
公開日2016-03-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of coiled-coil domain of SYCP1
To Be Published
5LAR
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BU of 5lar by Molmil
Crystal structure of p38 alpha MAPK14 in complex with VPC00628
分子名称: 5-azanyl-~{N}-[[4-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
著者Chaikuad, A, Petersen, L.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-06-14
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Novel p38alpha MAP kinase inhibitors identified from yoctoReactor DNA-encoded small molecule library
Medchemcomm, 7, 2016
5KPJ
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BU of 5kpj by Molmil
Mouse pgp methylated protein
分子名称: Multidrug resistance protein 1A
著者Xia, D, Esser, L, Zhou, F.
登録日2016-07-04
公開日2016-11-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structures of the Multidrug Transporter P-glycoprotein Reveal Asymmetric ATP Binding and the Mechanism of Polyspecificity.
J. Biol. Chem., 292, 2017
5L96
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BU of 5l96 by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 1
分子名称: 1,2-ETHANEDIOL, 2-methyl-~{N}-[(2~{R})-1-methylsulfonylpropan-2-yl]pyridin-3-amine, Bromodomain adjacent to zinc finger domain protein 2B
著者Lolli, G, Marchand, J.-R, Caflisch, A.
登録日2016-06-09
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Derivatives of 3-Amino-2-methylpyridine as BAZ2B Bromodomain Ligands: In Silico Discovery and in Crystallo Validation.
J. Med. Chem., 59, 2016
3R7M
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BU of 3r7m by Molmil
AKR1C3 complex with sulindac
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J.
登録日2011-03-22
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
5KY6
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BU of 5ky6 by Molmil
Human muscle fructose-1,6-bisphosphate aldolase
分子名称: Fructose-bisphosphate aldolase A
著者Wisniewski, J, Barciszewski, J, Jaskolski, M, Rakus, D.
登録日2016-07-21
公開日2017-06-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.941 Å)
主引用文献Crystal structure of human muscle aldolase
To Be Published
5L8U
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BU of 5l8u by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 5
分子名称: Bromodomain adjacent to zinc finger domain protein 2B, TRIETHYLENE GLYCOL, ~{N}-[(1~{S})-1-(3,4-dihydro-2~{H}-1,5-benzodioxepin-7-yl)ethyl]-2-methyl-pyridin-3-amine
著者Lolli, G, Marchand, J.-R, Caflisch, A.
登録日2016-06-08
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Derivatives of 3-Amino-2-methylpyridine as BAZ2B Bromodomain Ligands: In Silico Discovery and in Crystallo Validation.
J. Med. Chem., 59, 2016
5KRB
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BU of 5krb by Molmil
GCNF DNA Binding Domain - Oct4 DR0 Complex
分子名称: DNA (5'-D(*AP*GP*AP*GP*GP*TP*CP*AP*AP*GP*GP*CP*TP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*GP*CP*CP*TP*TP*GP*AP*CP*CP*TP*CP*T)-3'), Nuclear receptor subfamily 6 group A member 1, ...
著者Weikum, E.R, Ortlund, E.A.
登録日2016-07-07
公開日2016-11-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献A Structural Investigation into Oct4 Regulation by Orphan Nuclear Receptors, Germ Cell Nuclear Factor (GCNF), and Liver Receptor Homolog-1 (LRH-1).
J. Mol. Biol., 428, 2016
5L8I
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BU of 5l8i by Molmil
crystal structure of human FABP6 apo-protein
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, DI(HYDROXYETHYL)ETHER, Gastrotropin, ...
著者Hendrick, A, Mueller, I, Leonard, P.M, Davenport, R, Mitchell, P.
登録日2016-06-08
公開日2016-08-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Identification and Investigation of Novel Binding Fragments in the Fatty Acid Binding Protein 6 (FABP6).
J.Med.Chem., 59, 2016
5L99
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BU of 5l99 by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 6
分子名称: 2-methyl-~{N}-[(1~{S})-1-thieno[3,2-b]pyridin-6-ylethyl]pyridin-3-amine, Bromodomain adjacent to zinc finger domain protein 2B
著者Lolli, G, Marchand, J.-R, Caflisch, A.
登録日2016-06-09
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Derivatives of 3-Amino-2-methylpyridine as BAZ2B Bromodomain Ligands: In Silico Discovery and in Crystallo Validation.
J. Med. Chem., 59, 2016
1CAU
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BU of 1cau by Molmil
DETERMINATION OF THREE CRYSTAL STRUCTURES OF CANAVALIN BY MOLECULAR REPLACEMENT
分子名称: CANAVALIN
著者Ko, T-P, Ng, J.D, Day, J, Greenwood, A, McPherson, A.
登録日1993-07-08
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Determination of three crystal structures of canavalin by molecular replacement.
Acta Crystallogr.,Sect.D, 49, 1993
5L8N
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BU of 5l8n by Molmil
crystal structure of human FABP6 protein with fragment 1
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 5,6-dimethyl-1~{H}-benzimidazol-2-amine, DI(HYDROXYETHYL)ETHER, ...
著者Hendrick, A, Mueller, I, Leonard, P.M, Davenport, R, Mitchell, P.
登録日2016-06-08
公開日2016-08-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Identification and Investigation of Novel Binding Fragments in the Fatty Acid Binding Protein 6 (FABP6).
J.Med.Chem., 59, 2016
5L8T
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BU of 5l8t by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 2
分子名称: Bromodomain adjacent to zinc finger domain protein 2B, ~{N}-[(3~{R})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine
著者Lolli, G, Marchand, J.-R, Caflisch, A.
登録日2016-06-08
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Derivatives of 3-Amino-2-methylpyridine as BAZ2B Bromodomain Ligands: In Silico Discovery and in Crystallo Validation.
J. Med. Chem., 59, 2016
1BO6
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BU of 1bo6 by Molmil
ESTROGEN SULFOTRANSFERASE WITH INACTIVE COFACTOR PAP AND VANADATE
分子名称: ADENOSINE-3'-5'-DIPHOSPHATE, ESTROGEN SULFOTRANSFERASE, VANADATE ION
著者Kakuta, Y, Negishi, M, Pedersen, L.C.
登録日1998-08-10
公開日1999-08-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The sulfuryl transfer mechanism. Crystal structure of a vanadate complex of estrogen sulfotransferase and mutational analysis.
J.Biol.Chem., 273, 1998
5L98
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BU of 5l98 by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 4
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, ~{N}-[(1~{S})-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-pyridin-3-amine
著者Lolli, G, Marchand, J.-R, Caflisch, A.
登録日2016-06-09
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.263 Å)
主引用文献Derivatives of 3-Amino-2-methylpyridine as BAZ2B Bromodomain Ligands: In Silico Discovery and in Crystallo Validation.
J. Med. Chem., 59, 2016
1CAV
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BU of 1cav by Molmil
THE THREE-DIMENSIONAL STRUCTURE OF CANAVALIN FROM JACK BEAN (CANAVALIA ENSIFORMIS)
分子名称: CANAVALIN
著者Ko, T-P, Ng, J.D, McPherson, A.
登録日1993-05-27
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Determination of three crystal structures of canavalin by molecular replacement.
Acta Crystallogr.,Sect.D, 49, 1993
3R8G
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BU of 3r8g by Molmil
AKR1C3 complex with ibuprofen
分子名称: (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, ...
著者Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J.
登録日2011-03-24
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
4Z9D
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BU of 4z9d by Molmil
EcPltA
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Pertussis toxin-like subunit ArtA, SODIUM ION
著者Littler, D.R, Johnson, M.D, Summers, R.J, Schembri, M.A, Rossjohn, J, Beddoe, T.
登録日2015-04-10
公開日2016-10-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and function analyses of a pertussis-like toxin from pathogenic Escherichia coli reveal a distinct mechanism of inhibition of trimeric G proteins.
J. Biol. Chem., 2017
4ZI3
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BU of 4zi3 by Molmil
BART-like domain of BARTL1/CCDC104 aa1-133 in complex with Arl3FL bound to GppNHp in P1 21 1
分子名称: ADP-ribosylation factor-like protein 3, Cilia- and flagella-associated protein 36, MAGNESIUM ION, ...
著者Lokaj, M, Koerner, C, Koesling, S, Wittinghofer, A.
登録日2015-04-27
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Interaction of CCDC104/BARTL1 with Arl3 and Implications for Ciliary Function.
Structure, 23, 2015
4ZRI
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BU of 4zri by Molmil
Crystal structure of Merlin-FERM and Lats2
分子名称: Merlin, Serine/threonine-protein kinase LATS2
著者Li, F, Zhou, H, Long, J, Shen, Y.
登録日2015-05-12
公開日2015-06-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Angiomotin binding-induced activation of Merlin/NF2 in the Hippo pathway
Cell Res., 25, 2015
1ALD
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BU of 1ald by Molmil
ACTIVITY AND SPECIFICITY OF HUMAN ALDOLASES
分子名称: ALDOLASE A
著者Watson, H.C.
登録日1991-05-05
公開日1992-01-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Activity and specificity of human aldolases.
J.Mol.Biol., 219, 1991
1A4Y
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BU of 1a4y by Molmil
RIBONUCLEASE INHIBITOR-ANGIOGENIN COMPLEX
分子名称: ANGIOGENIN, RIBONUCLEASE INHIBITOR
著者Papageorgiou, A.C, Acharya, K.R.
登録日1998-02-08
公開日1998-10-14
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular recognition of human angiogenin by placental ribonuclease inhibitor--an X-ray crystallographic study at 2.0 A resolution.
EMBO J., 16, 1997
4ZCU
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BU of 4zcu by Molmil
Structure of calcium-bound regulatory domain of the human ATP-Mg/Pi carrier in the P2 form
分子名称: CALCIUM ION, Calcium-binding mitochondrial carrier protein SCaMC-1, GLYCEROL, ...
著者Harborne, S.P.D, Ruprecht, J.J, Kunji, E.R.S.
登録日2015-04-16
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Calcium-induced conformational changes in the regulatory domain of the human mitochondrial ATP-Mg/Pi carrier.
Biochim.Biophys.Acta, 1847, 2015

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