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2QQJ
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BU of 2qqj by Molmil
Crystal Structure of the b1b2 Domains from Human Neuropilin-2
分子名称: GLYCEROL, Neuropilin-2
著者Appleton, B.A, Wiesmann, C.
登録日2007-07-26
公開日2007-11-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural studies of neuropilin/antibody complexes provide insights into semaphorin and VEGF binding
Embo J., 26, 2007
1QSV
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BU of 1qsv by Molmil
THE VEGF-BINDING DOMAIN OF FLT-1, 20 NMR STRUCTURES
分子名称: VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 1
著者Starovasnik, M.A, Christinger, H.W, Wiesmann, C, Champe, M.A, de Vos, A.M, Skelton, N.J.
登録日1999-06-23
公開日1999-11-10
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Solution structure of the VEGF-binding domain of Flt-1: comparison of its free and bound states.
J.Mol.Biol., 293, 1999
1QSZ
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BU of 1qsz by Molmil
THE VEGF-BINDING DOMAIN OF FLT-1 (MINIMIZED MEAN)
分子名称: VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 1
著者Starovasnik, M.A, Christinger, H.W, Wiesmann, C, Champe, M.A, de Vos, A.M, Skelton, N.J.
登録日1999-06-24
公開日1999-11-10
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Solution structure of the VEGF-binding domain of Flt-1: comparison of its free and bound states.
J.Mol.Biol., 293, 1999
6THP
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BU of 6thp by Molmil
Neprilysin in complex with the inhibitor (R)-4-(1-carboxy-3-(3'-chlorobiphenyl-4-yl)propan-2-ylamino)-4-oxobutanoic acid
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[[(2~{R})-1-[4-(3-chlorophenyl)phenyl]-4-oxidanyl-4-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid, Neprilysin, ...
著者Schiering, N, Wiesmann, C.
登録日2019-11-21
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structure-Guided Design of Substituted Biphenyl Butanoic Acid Derivatives as Neprilysin Inhibitors.
Acs Med.Chem.Lett., 11, 2020
2JOA
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BU of 2joa by Molmil
HtrA1 bound to an optimized peptide: NMR assignment of PDZ domain and ligand resonances
分子名称: Peptide H1-C1, Serine protease HTRA1
著者Runyon, S.T, Zhang, Y, Appleton, B.A, Sazinksy, S.L, Wu, P, Pan, B, Wiesmann, C, Skelton, N.J, Sidhu, S.S.
登録日2007-03-01
公開日2007-11-20
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Structural and functional analysis of the PDZ domains of human HtrA1 and HtrA3
Protein Sci., 16, 2007
1SHM
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BU of 1shm by Molmil
Convergent solutions to VHH domain stabilization from natural and in vitro evolution
分子名称: ANTIBODY RIG
著者Bond, C.J, Wiesmann, C, Marsters, J.C, Sidhu, S.S.
登録日2004-02-26
公開日2005-03-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A structure-based database of antibody variable domain diversity.
J.Mol.Biol., 348, 2005
6YN9
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BU of 6yn9 by Molmil
MALT1(329-728) in complex with a sulfonamide containing compound
分子名称: 5-[4-[(2,6-diethylphenyl)sulfamoyl]-3-methyl-phenyl]furan-3-carboxylic acid, Mucosa-associated lymphoid tissue lymphoma translocation protein 1
著者Renatus, M.
登録日2020-04-11
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.558 Å)
主引用文献Stabilizing Inactive Conformations of MALT1 as an Effective Approach to Inhibit Its Protease Activity
Advanced Therapeutics, 3, 2020
6YN8
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BU of 6yn8 by Molmil
Human MALT1(334-719) in complex with a tetrazole containing compound
分子名称: 3-azanyl-3-methyl-~{N}-[(3~{R})-4-oxidanylidene-5-[[4-[2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]butanamide, Mucosa-associated lymphoid tissue lymphoma translocation protein 1
著者Renatus, M.
登録日2020-04-11
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.052 Å)
主引用文献Stabilizing Inactive Conformations of MALT1 as an Effective Approach to Inhibit Its Protease Activity
Advanced Therapeutics, 3, 2020
7ZYJ
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BU of 7zyj by Molmil
Leishmania tarentolae proteasome 20S subunit in complex with compound 2
分子名称: Proteasome alpha 1 subunit, putative, Proteasome alpha 5 subunit, ...
著者Srinivas, H.
登録日2022-05-24
公開日2022-09-28
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Discovery of Novel Quinoline-Based Proteasome Inhibitors for Human African Trypanosomiasis (HAT).
J.Med.Chem., 65, 2022
4U81
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BU of 4u81 by Molmil
MEK1 Kinase bound to small molecule inhibitor G659
分子名称: 8-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
著者Robarge, K.D, Ultsch, M.H, Weismann, C.
登録日2014-07-31
公開日2014-09-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479.
Bioorg.Med.Chem.Lett., 24, 2014
4U80
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BU of 4u80 by Molmil
MEK 1 kinase bound to G799
分子名称: 3-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
著者Ultsch, M.H, Robarge, K.D, Weismann, C.
登録日2014-07-31
公開日2014-09-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479.
Bioorg.Med.Chem.Lett., 24, 2014
8AYH
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BU of 8ayh by Molmil
Structure of Complement C5 in Complex with small molecule inhibitor and CVF
分子名称: 5-methoxy-2-[[(1~{S})-1-(2-methoxyphenyl)ethyl]carbamoylamino]-4-(4-methylpentoxy)benzoic acid, Cobra venom factor, Complement C5 alpha chain, ...
著者Srinivas, H.
登録日2022-09-02
公開日2022-12-21
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献A small-molecule inhibitor of C5 complement protein.
Nat.Chem.Biol., 15, 2019
1HCF
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BU of 1hcf by Molmil
Crystal structure of TrkB-d5 bound to neurotrophin-4/5
分子名称: BDNF/NT-3 GROWTH FACTORS RECEPTOR, NEUROTROPHIN-4, SULFATE ION
著者Banfield, M.J, Naylor, R.L, Robertson, A.G.S, Allen, S.J, Dawbarn, D, Brady, R.L.
登録日2001-05-03
公開日2001-12-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Specificity in Trk-Receptor:Neurotrophin Interaction: The Crystal Structure of Trkb-D5 in Complex with Neurotrophin-4/5
Structure, 9, 2001
6GG0
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BU of 6gg0 by Molmil
Cryo-EM structure of BK polyomavirus like particle in complex with single chain antibody ScFv41F17
分子名称: Capsid protein VP1, Heavy chain, light chain
著者Srinivas, H.
登録日2018-05-02
公開日2019-03-06
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (4.24 Å)
主引用文献Human Memory B Cells Harbor Diverse Cross-Neutralizing Antibodies against BK and JC Polyomaviruses.
Immunity, 50, 2019
4HLE
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BU of 4hle by Molmil
Compound 21 (1-alkyl-substituted 1,2,4-triazoles)
分子名称: 2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepine-8-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Murray, J.M, Rouge, L, Wu, P.
登録日2012-10-16
公開日2013-01-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Cis-Amide isosteric replacement in thienobenzoxepin inhibitors of PI3-kinase.
Bioorg.Med.Chem.Lett., 23, 2013
4LMN
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BU of 4lmn by Molmil
Crystal Structure of MEK1 kinase bound to GDC0973
分子名称: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Ultsch, M.H.
登録日2013-07-10
公開日2013-08-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mechanism of MEK inhibition determines efficacy in mutant KRAS- versus BRAF-driven cancers.
Nature, 501, 2013
1SI5
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BU of 1si5 by Molmil
Protease-like domain from 2-chain hepatocyte growth factor
分子名称: hepatocyte growth factor
著者Kirchhofer, D, Yao, X, Peek, M, Eigenbrot, C, Lipari, M.T, Billeci, K.L, Maun, H.R, Moran, P, Santell, L, Lazarus, R.A.
登録日2004-02-27
公開日2004-12-28
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structural and functional basis of the serine protease-like hepatocyte growth factor beta-chain in Met binding and signaling
J.Biol.Chem., 279, 2004
1HE7
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BU of 1he7 by Molmil
Human Nerve growth factor receptor TrkA
分子名称: GLYCEROL, HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR
著者Banfield, M, Robertson, A, Allen, S, Dando, J, Tyler, S, Bennett, G, Brain, S, Mason, G, Holden, P, Clarke, A, Naylor, R, Wilcock, G, Brady, R, Dawbarn, D.
登録日2000-11-20
公開日2001-04-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification and Structure of the Nerve Growth Factor Binding Site on Trka.
Biochem.Biophys.Res.Commun., 282, 2001
6TCZ
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BU of 6tcz by Molmil
Leishmania tarentolae proteasome 20S subunit complexed with LXE408
分子名称: Proteasome endopeptidase complex, Proteasome subunit alpha type, Proteasome subunit beta, ...
著者Srinivas, H.
登録日2019-11-07
公開日2020-08-26
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Discovery and Characterization of Clinical Candidate LXE408 as a Kinetoplastid-Selective Proteasome Inhibitor for the Treatment of Leishmaniases.
J.Med.Chem., 63, 2020
6TD5
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BU of 6td5 by Molmil
Leishmania tarentolae proteasome 20S subunit complexed with LXE408 and bortezomib
分子名称: N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, Proteasome endopeptidase complex, Proteasome subunit alpha type, ...
著者Srinivas, H.
登録日2019-11-07
公開日2020-08-26
最終更新日2020-10-21
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Discovery and Characterization of Clinical Candidate LXE408 as a Kinetoplastid-Selective Proteasome Inhibitor for the Treatment of Leishmaniases.
J.Med.Chem., 63, 2020
6SJ7
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BU of 6sj7 by Molmil
Structure of the human DDB1-DDA1-DCAF15 E3 ubiquitin ligase bound to RBM39 and Indisulam
分子名称: DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1, ...
著者Srinivas, H.
登録日2019-08-12
公開日2019-12-18
最終更新日2019-12-25
実験手法ELECTRON MICROSCOPY (3.54 Å)
主引用文献Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex.
Nat.Chem.Biol., 16, 2020
6UD7
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BU of 6ud7 by Molmil
Crystal structure of full-length human DCAF15-DDB1(deltaBPB)-DDA1-RBM39 in complex with indisulam
分子名称: DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1,DNA damage-binding protein 1, ...
著者Bussiere, D.E, Shu, W, Xie, L, Knapp, M.
登録日2019-09-18
公開日2019-12-18
最終更新日2020-01-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex.
Nat.Chem.Biol., 16, 2020
6UE5
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Crystal structure of full-length human DCAF15-DDB1-deltaPBP-DDA1-RBM39 in complex with 4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide
分子名称: 4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ...
著者Knapp, M.S, Shu, W, Xie, L, Bussiere, D.E.
登録日2019-09-20
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex.
Nat.Chem.Biol., 16, 2020
4QYE
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BU of 4qye by Molmil
CHK1 kinase domain in complex with diarylpyrazine compound 1
分子名称: 4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid, Serine/threonine-protein kinase Chk1
著者Appleton, B, Wu, P.
登録日2014-07-24
公開日2014-12-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.
Bioorg.Med.Chem.Lett., 24, 2014
4QYF
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CHK1 kinase domain in complex with aminopyrazine compound 13
分子名称: 4-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid, Serine/threonine-protein kinase Chk1
著者Appleton, B, Wu, P.
登録日2014-07-24
公開日2014-12-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.
Bioorg.Med.Chem.Lett., 24, 2014

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