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1QGT
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BU of 1qgt by Molmil
HUMAN HEPATITIS B VIRAL CAPSID (HBCAG)
分子名称: PROTEIN (HBV CAPSID PROTEIN)
著者Leslie, A.G.W, Wynne, S.A, Crowther, R.A.
登録日1999-05-05
公開日1999-06-25
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献The crystal structure of the human hepatitis B virus capsid.
Mol.Cell, 3, 1999
1EP2
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BU of 1ep2 by Molmil
CRYSTAL STRUCTURE OF LACTOCOCCUS LACTIS DIHYDROOROTATE DEHYDROGENASE B COMPLEXED WITH OROTATE
分子名称: DIHYDROOROTATE DEHYDROGENASE B (PYRD SUBUNIT), DIHYDROOROTATE DEHYDROGENASE B (PYRK SUBUNIT), FE2/S2 (INORGANIC) CLUSTER, ...
著者Rowland, P, Norager, S, Jensen, K.F, Larsen, S.
登録日2000-03-27
公開日2001-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of dihydroorotate dehydrogenase B: electron transfer between two flavin groups bridged by an iron-sulphur cluster.
Structure Fold.Des., 8, 2000
4JPI
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BU of 4jpi by Molmil
Crystal structure of a putative VRC01 germline precursor Fab
分子名称: GLYCEROL, Putative VRC01 germline Fab heavy chain, Putative VRC01 germline Fab light chain
著者Julien, J.-P, Diwanji, D.C, Jardine, J, Schief, W.R, Wilson, I.A.
登録日2013-03-19
公開日2013-04-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Rational HIV immunogen design to target specific germline B cell receptors.
Science, 340, 2013
1EP1
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CRYSTAL STRUCTURE OF LACTOCOCCUS LACTIS DIHYDROOROTATE DEHYDROGENASE B
分子名称: DIHYDROOROTATE DEHYDROGENASE B (PYRD SUBUNIT), DIHYDROOROTATE DEHYDROGENASE B (PYRK SUBUNIT), FE2/S2 (INORGANIC) CLUSTER, ...
著者Rowland, P, Norager, S, Jensen, K.F, Larsen, S.
登録日2000-03-27
公開日2001-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of dihydroorotate dehydrogenase B: electron transfer between two flavin groups bridged by an iron-sulphur cluster.
Structure Fold.Des., 8, 2000
2LDR
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BU of 2ldr by Molmil
Solution structure of Helix-RING domain of Cbl-b in the Tyr363 phosphorylated form
分子名称: E3 ubiquitin-protein ligase CBL-B, ZINC ION
著者Kumeta, H, Kobashigawa, Y, Inagaki, F.
登録日2011-06-01
公開日2011-12-14
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Autoinhibition and phosphorylation-induced activation mechanisms of human cancer and autoimmune disease-related E3 protein Cbl-b
Proc.Natl.Acad.Sci.USA, 108, 2011
7USH
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BU of 7ush by Molmil
BRD2-BD2 in complex with SF2523
分子名称: 1,2-ETHANEDIOL, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one, Bromodomain-containing protein 2
著者Jayasinghe, T.D, Ronning, D.R.
登録日2022-04-25
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
1SQQ
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BU of 1sqq by Molmil
Crystal Structure Analysis of Bovine Bc1 with Methoxy Acrylate Stilbene (MOAS)
分子名称: Cytochrome b, Cytochrome c1, heme protein, ...
著者Esser, L, Quinn, B, Li, Y.F, Zhang, M, Elberry, M, Yu, L, Yu, C.A, Xia, D.
登録日2004-03-19
公開日2005-10-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystallographic studies of quinol oxidation site inhibitors: a modified classification of inhibitors for the cytochrome bc(1) complex.
J.Mol.Biol., 341, 2004
1SQB
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BU of 1sqb by Molmil
Crystal Structure Analysis of Bovine Bc1 with Azoxystrobin
分子名称: Cytochrome b, Cytochrome c1, heme protein, ...
著者Esser, L, Quinn, B, Li, Y.F, Zhang, M, Elberry, M, Yu, L, Yu, C.A, Xia, D.
登録日2004-03-18
公開日2004-09-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Crystallographic studies of quinol oxidation site inhibitors: a modified classification of inhibitors for the cytochrome bc(1) complex
J.Mol.Biol., 341, 2004
1SQX
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Crystal Structure Analysis of Bovine Bc1 with Stigmatellin A
分子名称: Cytochrome b, Cytochrome c1, heme protein, ...
著者Esser, L, Quinn, B, Li, Y.F, Zhang, M, Elberry, M, Yu, L, Yu, C.A, Xia, D.
登録日2004-03-21
公開日2005-09-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystallographic studies of quinol oxidation site inhibitors: a modified classification of inhibitors for the cytochrome bc(1) complex.
J.Mol.Biol., 341, 2004
1BFT
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BU of 1bft by Molmil
STRUCTURE OF NF-KB P50 HOMODIMER BOUND TO A KB SITE
分子名称: NUCLEAR FACTOR NF-KAPPA-B P65
著者Huang, D.B, Huxford, T, Chen, Y.Q, Ghosh, G.
登録日1997-09-12
公開日1998-01-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The role of DNA in the mechanism of NFkappaB dimer formation: crystal structures of the dimerization domains of the p50 and p65 subunits.
Structure, 5, 1997
1BFS
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BU of 1bfs by Molmil
STRUCTURE OF NF-KB P50 HOMODIMER BOUND TO A KB SITE
分子名称: NUCLEAR FACTOR NF-KAPPA-B P50
著者Huang, D.B, Huxford, T, Chen, Y.Q, Ghosh, G.
登録日1997-09-12
公開日1998-01-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The role of DNA in the mechanism of NFkappaB dimer formation: crystal structures of the dimerization domains of the p50 and p65 subunits.
Structure, 5, 1997
5QIN
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BU of 5qin by Molmil
TGF-BETA RECEPTOR TYPE 2 KINASE DOMAIN IN COMPLEX WITH N- {4-[3-(6-METHOXYPYRIDIN-3-YL)-1H-PYRROLO[3,2-B]PYRIDIN-2- YL]PYRIDIN-2-YL}ACETAMIDE
分子名称: GLYCEROL, MAGNESIUM ION, N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide, ...
著者Sheriff, S.
登録日2018-08-05
公開日2018-10-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Discovery of 4-Azaindole Inhibitors of TGF beta RI as Immuno-oncology Agents.
ACS Med Chem Lett, 9, 2018
3EN4
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BU of 3en4 by Molmil
Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with PP121, a multitargeted kinase inhibitor
分子名称: 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
著者Blair, J.A, Apsel, B, Knight, Z.A, Shokat, K.M.
登録日2008-09-25
公開日2008-10-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
Nat.Chem.Biol., 4, 2008
5QIM
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BU of 5qim by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-{4-[3-(5-METHOXYPYRIDIN-2-YL)-1H-PYRROLO[3,2-B] PYRIDIN-2-YL]PYRIDIN-2-YL}ACETAMIDE
分子名称: GLYCEROL, N-{4-[3-(5-methoxypyridin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide, TGF-beta receptor type-1
著者Sheriff, S.
登録日2018-08-05
公開日2018-10-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of 4-Azaindole Inhibitors of TGF beta RI as Immuno-oncology Agents.
ACS Med Chem Lett, 9, 2018
4QHK
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BU of 4qhk by Molmil
UCA (unbound) from CH103 Lineage
分子名称: UCA heavy chain, UCA light chain
著者Fera, D, Harrison, S.C.
登録日2014-05-28
公開日2014-06-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.487 Å)
主引用文献Affinity maturation in an HIV broadly neutralizing B-cell lineage through reorientation of variable domains.
Proc.Natl.Acad.Sci.USA, 111, 2014
1NSA
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BU of 1nsa by Molmil
THREE-DIMENSIONAL STRUCTURE OF PORCINE PROCARBOXYPEPTIDASE B: A STRUCTURAL BASIS OF ITS INACTIVITY
分子名称: BENZAMIDINE, PROCARBOXYPEPTIDASE B, ZINC ION
著者Huber, R.
登録日1997-07-25
公開日1997-12-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Three-dimensional structure of porcine procarboxypeptidase B: a structural basis of its inactivity.
EMBO J., 10, 1991
5QIL
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BU of 5qil by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-{4-[3-(6-METHOXYPYRIDIN-3-YL)-1H-PYRROLO[3,2-B]PYRIDIN-2-YL]PYRIDIN-2-YL}ACETAMIDE
分子名称: N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide, TGF-beta receptor type-1
著者Sheriff, S.
登録日2018-08-05
公開日2018-10-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of 4-Azaindole Inhibitors of TGF beta RI as Immuno-oncology Agents.
ACS Med Chem Lett, 9, 2018
1OIF
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BU of 1oif by Molmil
Family 1 b-glucosidase from Thermotoga maritima
分子名称: 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, BETA-GLUCOSIDASE
著者Gloster, T, Zechel, D, Boraston, A.B, Boraston, C.M, Macdonald, J.M, Tilbrook, D.M, Stick, R.V, Davies, G.J.
登録日2003-06-16
公開日2003-11-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Iminosugar Glycosidase Inhibitors: Structural and Thermodynamic Dissection of the Binding of Isofagomine and 1-Deoxynojirimycin to Beta-Glucosidases
J.Am.Chem.Soc., 125, 2003
1TXA
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BU of 1txa by Molmil
SOLUTION NMR STRUCTURE OF TOXIN B, A LONG NEUROTOXIN FROM THE VENOM OF THE KING COBRA, MINIMIZED AVERAGE STRUCTURE
分子名称: TOXIN B
著者Peng, S.-S, Kumar, T.K.S, Jayaraman, G, Chang, C.-C, Yu, C.
登録日1996-07-20
公開日1997-10-15
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Solution structure of toxin b, a long neurotoxin from the venom of the king cobra (Ophiophagus hannah).
J.Biol.Chem., 272, 1997
7WPX
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BU of 7wpx by Molmil
Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a fragment and ATP
分子名称: 1,2-ETHANEDIOL, 6-chloranylimidazo[2,1-b][1,3]thiazole, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H.
登録日2022-01-24
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase.
Nucleic Acids Res., 50, 2022
3WUW
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BU of 3wuw by Molmil
KIR3DL1 in complex with HLA-B*57:01.I80T
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Vivian, J.P, Rossjohn, J.
登録日2014-05-06
公開日2014-05-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mutational and structural analysis of KIR3DL1 reveals a lineage-defining allotypic dimorphism that impacts both HLA and peptide sensitivity
J.Immunol., 192, 2014
2WD1
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BU of 2wd1 by Molmil
Human c-Met Kinase in complex with azaindole inhibitor
分子名称: 1-[(2-NITROPHENYL)SULFONYL]-1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE, GAMMA-BUTYROLACTONE, HEPATOCYTE GROWTH FACTOR RECEPTOR
著者Porter, J, Lumb, S, Franklin, R.J, Gascon-Simorte, J.M, Calmiano, M, Le Riche, K, Lallemand, B, Keyaerts, J, Edwards, H, Maloney, A, Delgado, J, King, L, Foley, A, Lecomte, F, Reuberson, J, Meier, C, Batchelor, M.
登録日2009-03-19
公開日2009-04-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of 4-Azaindoles as Novel Inhibitors of C- met Kinase.
Bioorg.Med.Chem.Lett., 19, 2009
5USQ
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BU of 5usq by Molmil
ALK-5 kinase inhibitor complex
分子名称: N-[2-(5-chloro-2-fluorophenyl)pyridin-4-yl]-2-[(piperidin-4-yl)methyl]-2H-pyrazolo[4,3-b]pyridin-7-amine, TGF-beta receptor type-1
著者Dougan, D.R, Lawson, J.D.
登録日2017-02-13
公開日2017-04-12
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Design, synthesis and optimization of 7-substituted-pyrazolo[4,3-b]pyridine ALK5 (activin receptor-like kinase 5) inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
1C5Y
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BU of 1c5y by Molmil
STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR
分子名称: CITRATE ANION, PROTEIN (UROKINASE-TYPE PLASMINOGEN ACTIVATOR), THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE
著者Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L.
登録日1999-12-22
公開日2000-12-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator.
Chem.Biol., 7, 2000
1C5W
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STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR
分子名称: 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE, CITRATE ANION, PROTEIN (UROKINASE-TYPE PLASMINOGEN ACTIVATOR)
著者Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L.
登録日1999-12-22
公開日2000-12-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator.
Chem.Biol., 7, 2000

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