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1TZI
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BU of 1tzi by Molmil
Crystal Structure of the Fab YADS2 Complexed with h-VEGF
Descriptor: Fab YADS2 Heavy Chain, Fab YADS2 Light Chain, Vascular endothelial growth factor A
Authors:Fellouse, F.A, Wiesmann, C, Sidhu, S.S.
Deposit date:2004-07-10
Release date:2004-08-31
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Synthetic antibodies from a four-amino-acid code: A dominant role for tyrosine in antigen recognition
Proc.Natl.Acad.Sci.USA, 101, 2004
1SHY
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BU of 1shy by Molmil
The Crystal Structure of HGF beta-chain in Complex with the Sema Domain of the Met Receptor.
Descriptor: Hepatocyte growth factor, Hepatocyte growth factor receptor
Authors:Stamos, J, Wiesmann, C.
Deposit date:2004-02-26
Release date:2004-06-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Crystal structure of the HGF beta-chain in complex with the Sema domain of the Met receptor.
Embo J., 23, 2004
2JOA
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BU of 2joa by Molmil
HtrA1 bound to an optimized peptide: NMR assignment of PDZ domain and ligand resonances
Descriptor: Peptide H1-C1, Serine protease HTRA1
Authors:Runyon, S.T, Zhang, Y, Appleton, B.A, Sazinksy, S.L, Wu, P, Pan, B, Wiesmann, C, Skelton, N.J, Sidhu, S.S.
Deposit date:2007-03-01
Release date:2007-11-20
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Structural and functional analysis of the PDZ domains of human HtrA1 and HtrA3
Protein Sci., 16, 2007
1QSZ
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BU of 1qsz by Molmil
THE VEGF-BINDING DOMAIN OF FLT-1 (MINIMIZED MEAN)
Descriptor: VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 1
Authors:Starovasnik, M.A, Christinger, H.W, Wiesmann, C, Champe, M.A, de Vos, A.M, Skelton, N.J.
Deposit date:1999-06-24
Release date:1999-11-10
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Solution structure of the VEGF-binding domain of Flt-1: comparison of its free and bound states.
J.Mol.Biol., 293, 1999
1QSV
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BU of 1qsv by Molmil
THE VEGF-BINDING DOMAIN OF FLT-1, 20 NMR STRUCTURES
Descriptor: VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 1
Authors:Starovasnik, M.A, Christinger, H.W, Wiesmann, C, Champe, M.A, de Vos, A.M, Skelton, N.J.
Deposit date:1999-06-23
Release date:1999-11-10
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Solution structure of the VEGF-binding domain of Flt-1: comparison of its free and bound states.
J.Mol.Biol., 293, 1999
1SHM
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BU of 1shm by Molmil
Convergent solutions to VHH domain stabilization from natural and in vitro evolution
Descriptor: ANTIBODY RIG
Authors:Bond, C.J, Wiesmann, C, Marsters, J.C, Sidhu, S.S.
Deposit date:2004-02-26
Release date:2005-03-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A structure-based database of antibody variable domain diversity.
J.Mol.Biol., 348, 2005
8AYH
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BU of 8ayh by Molmil
Structure of Complement C5 in Complex with small molecule inhibitor and CVF
Descriptor: 5-methoxy-2-[[(1~{S})-1-(2-methoxyphenyl)ethyl]carbamoylamino]-4-(4-methylpentoxy)benzoic acid, Cobra venom factor, Complement C5 alpha chain, ...
Authors:Srinivas, H.
Deposit date:2022-09-02
Release date:2022-12-21
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:A small-molecule inhibitor of C5 complement protein.
Nat.Chem.Biol., 15, 2019
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
Descriptor: Capsid protein VP1, Heavy chain, light chain
Authors:Srinivas, H.
Deposit date:2018-05-02
Release date:2019-03-06
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (4.24 Å)
Cite:Human Memory B Cells Harbor Diverse Cross-Neutralizing Antibodies against BK and JC Polyomaviruses.
Immunity, 50, 2019
3T8M
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BU of 3t8m by Molmil
Rational Design of PI3K-alpha Inhibitors that Exhibit Selectivity Over the PI3K-beta Isoform
Descriptor: N~2~-{2-chloro-4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-N~2~,N~8~-dimethyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2,8-dicarboxamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Murray, J.M, Wiesmann, C.
Deposit date:2011-08-01
Release date:2011-11-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Rational Design of PI3K-alpha Inhibitors that Exhibit Selectivity Over the PI3K-beta Isoform
To be Published
6TD5
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BU of 6td5 by Molmil
Leishmania tarentolae proteasome 20S subunit complexed with LXE408 and bortezomib
Descriptor: N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, Proteasome endopeptidase complex, Proteasome subunit alpha type, ...
Authors:Srinivas, H.
Deposit date:2019-11-07
Release date:2020-08-26
Last modified:2020-10-21
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Discovery and Characterization of Clinical Candidate LXE408 as a Kinetoplastid-Selective Proteasome Inhibitor for the Treatment of Leishmaniases.
J.Med.Chem., 63, 2020
7ZYJ
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BU of 7zyj by Molmil
Leishmania tarentolae proteasome 20S subunit in complex with compound 2
Descriptor: Proteasome alpha 1 subunit, putative, Proteasome alpha 5 subunit, ...
Authors:Srinivas, H.
Deposit date:2022-05-24
Release date:2022-09-28
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Discovery of Novel Quinoline-Based Proteasome Inhibitors for Human African Trypanosomiasis (HAT).
J.Med.Chem., 65, 2022
4HLE
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BU of 4hle by Molmil
Compound 21 (1-alkyl-substituted 1,2,4-triazoles)
Descriptor: 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
Authors:Murray, J.M, Rouge, L, Wu, P.
Deposit date:2012-10-16
Release date:2013-01-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Cis-Amide isosteric replacement in thienobenzoxepin inhibitors of PI3-kinase.
Bioorg.Med.Chem.Lett., 23, 2013
1HCF
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BU of 1hcf by Molmil
Crystal structure of TrkB-d5 bound to neurotrophin-4/5
Descriptor: BDNF/NT-3 GROWTH FACTORS RECEPTOR, NEUROTROPHIN-4, SULFATE ION
Authors:Banfield, M.J, Naylor, R.L, Robertson, A.G.S, Allen, S.J, Dawbarn, D, Brady, R.L.
Deposit date:2001-05-03
Release date:2001-12-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Specificity in Trk-Receptor:Neurotrophin Interaction: The Crystal Structure of Trkb-D5 in Complex with Neurotrophin-4/5
Structure, 9, 2001
6YN9
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BU of 6yn9 by Molmil
MALT1(329-728) in complex with a sulfonamide containing compound
Descriptor: 5-[4-[(2,6-diethylphenyl)sulfamoyl]-3-methyl-phenyl]furan-3-carboxylic acid, Mucosa-associated lymphoid tissue lymphoma translocation protein 1
Authors:Renatus, M.
Deposit date:2020-04-11
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.558 Å)
Cite: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
Descriptor: 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
Authors:Renatus, M.
Deposit date:2020-04-11
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.052 Å)
Cite:Stabilizing Inactive Conformations of MALT1 as an Effective Approach to Inhibit Its Protease Activity
Advanced Therapeutics, 3, 2020
1HE7
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BU of 1he7 by Molmil
Human Nerve growth factor receptor TrkA
Descriptor: GLYCEROL, HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR
Authors: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.
Deposit date:2000-11-20
Release date:2001-04-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification and Structure of the Nerve Growth Factor Binding Site on Trka.
Biochem.Biophys.Res.Commun., 282, 2001
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
Descriptor: DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1,DNA damage-binding protein 1, ...
Authors:Bussiere, D.E, Shu, W, Xie, L, Knapp, M.
Deposit date:2019-09-18
Release date:2019-12-18
Last modified:2020-01-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex.
Nat.Chem.Biol., 16, 2020
6UE5
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BU of 6ue5 by Molmil
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
Descriptor: 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, ...
Authors:Knapp, M.S, Shu, W, Xie, L, Bussiere, D.E.
Deposit date:2019-09-20
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex.
Nat.Chem.Biol., 16, 2020
4LMN
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BU of 4lmn by Molmil
Crystal Structure of MEK1 kinase bound to GDC0973
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Ultsch, M.H.
Deposit date:2013-07-10
Release date:2013-08-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanism of MEK inhibition determines efficacy in mutant KRAS- versus BRAF-driven cancers.
Nature, 501, 2013
4U81
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BU of 4u81 by Molmil
MEK1 Kinase bound to small molecule inhibitor G659
Descriptor: 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, ...
Authors:Robarge, K.D, Ultsch, M.H, Weismann, C.
Deposit date:2014-07-31
Release date:2014-09-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.701 Å)
Cite: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
Descriptor: 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, ...
Authors:Ultsch, M.H, Robarge, K.D, Weismann, C.
Deposit date:2014-07-31
Release date:2014-09-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
6TCZ
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BU of 6tcz by Molmil
Leishmania tarentolae proteasome 20S subunit complexed with LXE408
Descriptor: Proteasome endopeptidase complex, Proteasome subunit alpha type, Proteasome subunit beta, ...
Authors:Srinivas, H.
Deposit date:2019-11-07
Release date:2020-08-26
Last modified:2020-10-21
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Discovery and Characterization of Clinical Candidate LXE408 as a Kinetoplastid-Selective Proteasome Inhibitor for the Treatment of Leishmaniases.
J.Med.Chem., 63, 2020
1SI5
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BU of 1si5 by Molmil
Protease-like domain from 2-chain hepatocyte growth factor
Descriptor: hepatocyte growth factor
Authors:Kirchhofer, D, Yao, X, Peek, M, Eigenbrot, C, Lipari, M.T, Billeci, K.L, Maun, H.R, Moran, P, Santell, L, Lazarus, R.A.
Deposit date:2004-02-27
Release date:2004-12-28
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structural and functional basis of the serine protease-like hepatocyte growth factor beta-chain in Met binding and signaling
J.Biol.Chem., 279, 2004
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
Descriptor: DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1, ...
Authors:Srinivas, H.
Deposit date:2019-08-12
Release date:2019-12-18
Last modified:2019-12-25
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex.
Nat.Chem.Biol., 16, 2020
4QYF
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BU of 4qyf by Molmil
CHK1 kinase domain in complex with aminopyrazine compound 13
Descriptor: 4-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid, Serine/threonine-protein kinase Chk1
Authors:Appleton, B, Wu, P.
Deposit date:2014-07-24
Release date:2014-12-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.
Bioorg.Med.Chem.Lett., 24, 2014

219515

数据于2024-05-08公开中

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