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PDB: 148 件
3KEN
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BU of 3ken by Molmil
Human Eg5 in complex with S-trityl-L-cysteine
分子名称: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, MAGNESIUM ION, ...
著者Parke, C.L, Wojcik, E.J, Kim, S, Worthylake, D.K.
登録日2009-10-26
公開日2010-03-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Allosteric drug discrimination is coupled to mechanochemical changes in the kinesin-5 motor core.
J.Biol.Chem., 285, 2010
3HQD
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BU of 3hqd by Molmil
Human kinesin Eg5 motor domain in complex with AMPPNP and Mg2+
分子名称: Kinesin-like protein KIF11, MAGNESIUM ION, PHOSPHATE ION, ...
著者Parke, C.L, Wojcik, E.J, Kim, S, Worthylake, D.K.
登録日2009-06-05
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献ATP Hydrolysis in Eg5 Kinesin Involves a Catalytic Two-water Mechanism.
J.Biol.Chem., 285, 2010
1HXW
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BU of 1hxw by Molmil
HIV-1 PROTEASE DIMER COMPLEXED WITH A-84538
分子名称: HIV-1 PROTEASE, RITONAVIR
著者Park, C.H, Nienaber, V, Kong, X.P.
登録日1997-01-24
公開日1998-02-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献ABT-538 is a potent inhibitor of human immunodeficiency virus protease and has high oral bioavailability in humans.
Proc.Natl.Acad.Sci.USA, 92, 1995
2QF6
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BU of 2qf6 by Molmil
HSP90 complexed with A56322
分子名称: 6-(3-BROMO-2-NAPHTHYL)-1,3,5-TRIAZINE-2,4-DIAMINE, Heat shock protein HSP 90-alpha
著者Park, C.H.
登録日2007-06-26
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies.
Chem.Biol.Drug Des., 70, 2007
1YNX
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BU of 1ynx by Molmil
Solution structure of DNA binding domain A (DBD-A) of S.cerevisiae Replication Protein A (RPA)
分子名称: Replication factor-A protein 1
著者Park, C.J, Lee, J.H, Choi, B.S.
登録日2005-01-26
公開日2006-01-10
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the DNA-binding domain of RPA from Saccharomyces cerevisiae and its interaction with single-stranded DNA and SV40 T antigen
Nucleic Acids Res., 33, 2005
1YW8
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BU of 1yw8 by Molmil
h-MetAP2 complexed with A751277
分子名称: 2-[(PHENYLSULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2
著者Park, C.H.
登録日2005-02-17
公開日2006-02-21
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery and optimization of anthranilic acid sulfonamides as inhibitors of methionine aminopeptidase-2: a structural basis for the reduction of albumin binding.
J.Med.Chem., 49, 2006
1C9X
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BU of 1c9x by Molmil
H119A VARIANT OF RIBONUCLEASE A
分子名称: CHLORIDE ION, RIBONUCLEASE A
著者Park, C, Schultz, L.W, Raines, R.T.
登録日1999-08-03
公開日2001-06-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Contribution of the active site histidine residues of ribonuclease A to nucleic acid binding.
Biochemistry, 40, 2001
1C9V
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BU of 1c9v by Molmil
H12A VARIANT OF RIBONUCLEASE A
分子名称: CHLORIDE ION, RIBONUCLEASE A
著者Park, C, Schultz, L.W, Raines, R.T.
登録日1999-08-03
公開日2001-06-27
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Contribution of the active site histidine residues of ribonuclease A to nucleic acid binding.
Biochemistry, 40, 2001
1YW9
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BU of 1yw9 by Molmil
h-MetAP2 complexed with A849519
分子名称: 2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2
著者Park, C.H.
登録日2005-02-17
公開日2006-02-21
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Discovery and optimization of anthranilic acid sulfonamides as inhibitors of methionine aminopeptidase-2: a structural basis for the reduction of albumin binding.
J.Med.Chem., 49, 2006
1YW7
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BU of 1yw7 by Molmil
h-MetAP2 complexed with A444148
分子名称: 5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2
著者Park, C.H.
登録日2005-02-17
公開日2006-02-21
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery and optimization of anthranilic acid sulfonamides as inhibitors of methionine aminopeptidase-2: a structural basis for the reduction of albumin binding.
J.Med.Chem., 49, 2006
1M82
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BU of 1m82 by Molmil
SOLUTION STRUCTURE OF THE COMPLEMENTARY RNA PROMOTER OF INFLUENZA A VIRUS
分子名称: RNA (25-MER): THE COMPLEMENTARY RNA PROMOTER OF INFLUENZA A VIRUS
著者Park, C.-J, Bae, S.-H, Lee, M.-K, Varani, G, Choi, B.-S.
登録日2002-07-24
公開日2003-06-03
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the influenza A virus cRNA promoter: implications for differential recognition of viral promoter structures by RNA-dependent RNA polymerase
NUCLEIC ACIDS RES., 31, 2003
5UER
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BU of 5uer by Molmil
BRD4_BD2_A-1359930
分子名称: Bromodomain-containing protein 4, N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindol-1-yl)-4-phenoxyphenyl]methanesulfonamide
著者Park, C.H.
登録日2017-01-03
公開日2017-06-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Complex structure of BRD4_BD2_A-1359930
To Be Published
5UEP
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BU of 5uep by Molmil
BRD4_BD2_A-581577
分子名称: Bromodomain-containing protein 4, ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate
著者Park, C.H.
登録日2017-01-03
公開日2017-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Complex structure of BRD4_BD2_A-581577
To Be Published
5UET
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BU of 5uet by Molmil
BRD4_BD2_A-1308586
分子名称: 2-methyl-5-phenyl-1H-pyrrole-3-carboxamide, Bromodomain-containing protein 4
著者Park, C.H.
登録日2017-01-03
公開日2017-06-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Complex structure of BRD4_BD2_A-1308586
To Be Published
3OWD
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BU of 3owd by Molmil
Crystal Structure of HSP90 with N-Aryl-benzimidazolone II
分子名称: Heat shock protein HSP 90-alpha, N-{[1-(5-chloro-2,4-dihydroxyphenyl)-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]methyl}naphthalene-1-sulfonamide
著者Park, C.H.
登録日2010-09-17
公開日2011-09-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献N-aryl-benzimidazolones as novel small molecule HSP90 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3OWB
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BU of 3owb by Molmil
Crystal Structure of HSP90 with VER-49009
分子名称: 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE, Heat shock protein HSP 90-alpha
著者Park, C.H.
登録日2010-09-17
公開日2011-09-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献N-aryl-benzimidazolones as novel small molecule HSP90 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3OW6
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BU of 3ow6 by Molmil
Crystal Structure of HSP90 with N-Aryl-benzimidazolone I
分子名称: 1-(2,4-dihydroxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one, Heat shock protein HSP 90-alpha
著者Park, C.H.
登録日2010-09-17
公開日2011-09-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献N-aryl-benzimidazolones as novel small molecule HSP90 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3GJW
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BU of 3gjw by Molmil
PARP complexed with A968427
分子名称: 7-(pyrrolidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one, Poly [ADP-ribose] polymerase 1
著者Park, C.H.
登録日2009-03-09
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Synthesis and SAR of novel tricyclic quinoxalinone inhibitors of poly(ADP-ribose)polymerase-1 (PARP-1)
Bioorg.Med.Chem.Lett., 19, 2009
3GN7
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BU of 3gn7 by Molmil
PARP complexed with A861696
分子名称: 2-[(2S)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide, Poly [ADP-ribose] polymerase 1
著者Park, C.H.
登録日2009-03-16
公開日2010-03-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献PARP complexed with A861696
To be Published
4LXD
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BU of 4lxd by Molmil
Bcl_2-Navitoclax Analog (without Thiophenyl) Complex
分子名称: 4-(4-{[4-(4-chlorophenyl)-5,6-dihydro-2H-pyran-3-yl]methyl}piperazin-1-yl)-N-{[3-nitro-4-(tetrahydro-2H-pyran-4-ylamino)phenyl]sulfonyl}benzamide, Apoptosis regulator Bcl-2
著者Park, C.H.
登録日2013-07-29
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets.
NAT.MED. (N.Y.), 19, 2013
4MAN
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BU of 4man by Molmil
Bcl_2-Navitoclax Analog (with Indole) Complex
分子名称: 4-[4-({4'-chloro-3-[2-(dimethylamino)ethoxy]biphenyl-2-yl}methyl)piperazin-1-yl]-2-(1H-indol-5-yloxy)-N-({3-nitro-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]phenyl}sulfonyl)benzamide, Apoptosis regulator Bcl-2
著者Park, C.H.
登録日2013-08-16
公開日2014-01-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets.
NAT.MED. (N.Y.), 19, 2013
4LVT
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BU of 4lvt by Molmil
Bcl_2-Navitoclax (ABT-263) Complex
分子名称: 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide, Apoptosis regulator Bcl-2
著者Park, C.H.
登録日2013-07-26
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets.
NAT.MED. (N.Y.), 19, 2013
2QG2
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BU of 2qg2 by Molmil
HSP90 complexed with A917985
分子名称: 3-({2-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)ETHYNYL]BENZYL}AMINO)-1,3-OXAZOL-2(3H)-ONE, Heat shock protein HSP 90-alpha
著者Park, C.H.
登録日2007-06-28
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies.
Chem.Biol.Drug Des., 70, 2007
2QFO
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BU of 2qfo by Molmil
HSP90 complexed with A143571 and A516383
分子名称: (3E)-3-[(phenylamino)methylidene]dihydrofuran-2(3H)-one, 4-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-AMINE, Heat shock protein HSP 90-alpha
著者Park, C.H.
登録日2007-06-27
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies.
CHEM.BIOL.DRUG DES., 70, 2007
5UEW
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BU of 5uew by Molmil
BRD2 Bromodomain2 with A-1360579
分子名称: Bromodomain-containing protein 2, N-[3-(4-methoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-4-phenoxyphenyl]methanesulfonamide
著者Park, C.H.
登録日2017-01-03
公開日2017-05-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017

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件を2024-11-20に公開中

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