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PDB: 45955 件
2VTN
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BU of 2vtn by Molmil
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
分子名称: 4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide, CELL DIVISION PROTEIN KINASE 2
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
1C5H
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BU of 1c5h by Molmil
HYDROGEN BONDING AND CATALYSIS: AN UNEXPECTED EXPLANATION FOR HOW A SINGLE AMINO ACID SUBSTITUTION CAN CHANGE THE PH OPTIMUM OF A GLYCOSIDASE
分子名称: ENDO-1,4-BETA-XYLANASE
著者Joshi, M.D, Sidhu, G, Pot, I, Brayer, G.D, Withers, S.G, Mcintosh, L.P.
登録日1999-11-24
公開日2000-05-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Hydrogen bonding and catalysis: a novel explanation for how a single amino acid substitution can change the pH optimum of a glycosidase.
J.Mol.Biol., 299, 2000
2ZDP
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BU of 2zdp by Molmil
Crystal structure of IsdI in complex with Cobalt protoporphyrin IX
分子名称: CHLORIDE ION, Heme-degrading monooxygenase isdI, PROTOPORPHYRIN IX CONTAINING CO
著者Lee, W.C, Reniere, M.L, Skaar, E.P, Murphy, M.E.P.
登録日2007-11-27
公開日2008-08-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Ruffling of Metalloporphyrins Bound to IsdG and IsdI, Two Heme-degrading Enzymes in Staphylococcus aureus
J.Biol.Chem., 283, 2008
5CEV
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BU of 5cev by Molmil
ARGINASE FROM BACILLUS CALDEVELOX, L-LYSINE COMPLEX
分子名称: GUANIDINE, LYSINE, MANGANESE (II) ION, ...
著者Bewley, M.C, Jeffrey, P.D, Patchett, M.L, Kanyo, Z.F, Baker, E.N.
登録日1999-03-16
公開日1999-04-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of Bacillus caldovelox arginase in complex with substrate and inhibitors reveal new insights into activation, inhibition and catalysis in the arginase superfamily.
Structure Fold.Des., 7, 1999
2VTQ
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BU of 2vtq by Molmil
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
分子名称: CELL DIVISION PROTEIN KINASE 2, {[(2,6-difluorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
4XUH
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BU of 4xuh by Molmil
PPARgamma ligand binding domain in complex with sulindac sulfide
分子名称: 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid, Peroxisome proliferator-activated receptor gamma
著者Puhl, A.C, Polikaporv, I, Webb, P.
登録日2015-01-25
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Mechanisms of peroxisome proliferator activated receptor gamma regulation by non-steroidal anti-inflammatory drugs.
Nucl Recept Signal, 13, 2015
1T80
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BU of 1t80 by Molmil
Zn-alpha-2-glycoprotein; CHO-ZAG PEG 200
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Zinc-alpha-2-glycoprotein
著者Delker, S.L, West Jr, A.P, McDermott, L, Kennedy, M.W, Bjorkman, P.J.
登録日2004-05-11
公開日2004-12-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystallographic studies of ligand binding by Zn-alpha2-glycoprotein.
J.Struct.Biol., 148, 2004
8JER
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BU of 8jer by Molmil
Structure of Acipimox-GPR109A-G protein complex
分子名称: 5-methyl-4-oxidanyl-pyrazin-4-ium-2-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K.
登録日2023-05-16
公開日2024-03-06
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献Structure-guided engineering of biased-agonism in the human niacin receptor via single amino acid substitution.
Nat Commun, 15, 2024
6QBG
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BU of 6qbg by Molmil
Crystal structure of human cathepsin D in complex with macrocyclic inhibitor 14
分子名称: (3~{S},7~{S},8~{S})-8-(naphthalen-2-ylmethyl)-7-oxidanyl-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Brynda, J, Houstecka, R, Majer, P, Mares, M.
登録日2018-12-21
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis.
J.Med.Chem., 63, 2020
5LG1
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BU of 5lg1 by Molmil
Room temperature structure of human IgG4-Fc from crystals analysed in situ
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-4 chain C region
著者Davies, A.M, Rispens, T, Ooijevaar-de Heer, P, Aalberse, R.C, Sutton, B.J.
登録日2016-07-05
公開日2016-12-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Room temperature structure of human IgG4-Fc from crystals analysed in situ.
Mol. Immunol., 81, 2016
4BXO
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BU of 4bxo by Molmil
Architecture and DNA recognition elements of the Fanconi anemia FANCM- FAAP24 complex
分子名称: 5'-D(*GP*AP*TP*GP*AP*TP*GP*CP*TP*GP*CP)-3', 5'-D(*TP*CP*AP*GP*CP*AP*TP*CP*AP*TP*CP)-3', CALCIUM ION, ...
著者Coulthard, R, Deans, A, Swuec, P, Bowles, M, Purkiss, A, Costa, A, West, S, McDonald, N.
登録日2013-07-15
公開日2013-08-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Architecture and DNA Recognition Elements of the Fanconi Anemia Fancm-Faap24 Complex.
Structure, 21, 2013
1YD7
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BU of 1yd7 by Molmil
Conserved hypothetical protein Pfu-1647980-001 from Pyrococcus furiosus
分子名称: 2-keto acid:ferredoxin oxidoreductase subunit alpha, UNKNOWN ATOM OR ION
著者Horanyi, P, Florence, Q, Zhou, W, Chang, J, Zhao, M, Habel, J, Xu, H, Chen, L, Lee, D, Nguyen, D, Chang, S.-H, Tempel, W, Lin, D, Zhang, H, Praissman, J, Jenney Jr, F.E, Adams, M.W.W, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-12-23
公開日2005-02-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Conserved hypothetical protein Pfu-1647980-001 from Pyrococcus furiosus
To be published
6PSA
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BU of 6psa by Molmil
PIE12 D-PEPTIDE AGAINST HIV ENTRY (IN COMPLEX WITH IQN17 Q577R RESISTANCE MUTANT)
分子名称: CHLORIDE ION, IQN17, PIE12 D-peptide
著者Hill, C.P, Whitby, F.G, Kay, M, Weinstock, M.
登録日2019-07-12
公開日2020-02-05
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Characterization of resistance to a potent D-peptide HIV entry inhibitor.
Retrovirology, 16, 2019
2W73
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BU of 2w73 by Molmil
High-resolution structure of the complex between calmodulin and a peptide from calcineurin A
分子名称: CALCIUM ION, CALMODULIN, SERINE/THREONINE-PROTEIN PHOSPHATASE 2B CATALYTIC SUBUNIT ALPHA ISOFORM
著者Majava, V, Kursula, P.
登録日2008-12-19
公開日2009-05-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Domain Swapping and Different Oligomeric States for the Complex between Calmodulin and the Calmodulin-Binding Domain of Calcineurin A
Plos One, 4, 2009
3ZX0
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BU of 3zx0 by Molmil
NTPDase1 in complex with Heptamolybdate
分子名称: ACETIC ACID, CHLORIDE ION, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 1, ...
著者Zebisch, M, Schaefer, P, Straeter, N.
登録日2011-08-04
公開日2011-11-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystallographic evidence for a domain motion in rat nucleoside triphosphate diphosphohydrolase (NTPDase) 1.
J. Mol. Biol., 415, 2012
5MMX
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BU of 5mmx by Molmil
ABA RECEPTOR FROM CITRUS, CSPYL1
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, CSPYL1_ABA
著者Moreno-Alvero, M, Yunta, C, Gonzalez-Guzman, M, Arbona, V, Granell, A, Martinez-Ripoll, M, Infantes, L, Rodriguez, P.L, Moreno-Alvero, M.
登録日2016-12-12
公開日2017-08-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.882 Å)
主引用文献Structure of Ligand-Bound Intermediates of Crop ABA Receptors Highlights PP2C as Necessary ABA Co-receptor.
Mol Plant, 10, 2017
1OAG
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BU of 1oag by Molmil
Ascorbate peroxidase from soybean cytosol
分子名称: ASCORBATE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Sharp, K.H, Raven, E.L, Moody, P.C.E.
登録日2003-01-13
公開日2003-03-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of the Ascorbate Peroxidase-Ascorbate Complex
Nat.Struct.Biol., 10, 2003
2WDC
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BU of 2wdc by Molmil
Termus thermophilus Sulfate thiohydrolase SoxB in complex with glycerol
分子名称: ACETATE ION, GLYCEROL, MANGANESE (II) ION, ...
著者Sauve, V, Roversi, P, Leath, K.J, Garman, E.F, Antrobus, R, Lea, S.M, Berks, B.C.
登録日2009-03-24
公開日2009-06-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mechanism for the Hydrolysis of a Sulfur-Sulfur Bond Based on the Crystal Structure of the Thiosulfohydrolase Soxb.
J.Biol.Chem., 284, 2009
1A0O
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BU of 1a0o by Molmil
CHEY-BINDING DOMAIN OF CHEA IN COMPLEX WITH CHEY
分子名称: CHEA, CHEY, MANGANESE (II) ION
著者Chinardet, N, Welch, M, Mourey, L, Birck, C, Samama, J.P.
登録日1997-12-05
公開日1998-12-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure of the CheY-binding domain of histidine kinase CheA in complex with CheY.
Nat.Struct.Biol., 5, 1998
2B63
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BU of 2b63 by Molmil
Complete RNA Polymerase II-RNA inhibitor complex
分子名称: 31-MER, DNA-directed RNA polymerase II 13.6 kDa polypeptide, DNA-directed RNA polymerase II 140 kDa polypeptide, ...
著者Kettenberger, H, Eisenfuehr, A, Brueckner, F, Theis, M, Famulok, M, Cramer, P.
登録日2005-09-30
公開日2005-12-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structure of an RNA polymerase II-RNA inhibitor complex elucidates transcription regulation by noncoding RNAs
Nat.Struct.Mol.Biol., 13, 2006
2VPW
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BU of 2vpw by Molmil
Polysulfide reductase with bound menaquinone
分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, HYPOTHETICAL MEMBRANE SPANNING PROTEIN, IRON/SULFUR CLUSTER, ...
著者Jormakka, M, Yokoyama, K, Yano, T, Tamakoshi, M, Akimoto, S, Shimamura, T, Curmi, P, Iwata, S.
登録日2008-03-09
公開日2008-06-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Molecular Mechanism of Energy Conservation in Polysulfide Respiration.
Nat.Struct.Mol.Biol., 15, 2008
2VPY
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BU of 2vpy by Molmil
Polysulfide reductase with bound quinone inhibitor, pentachlorophenol (PCP)
分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, HYPOTHETICAL MEMBRANE SPANNING PROTEIN, IRON/SULFUR CLUSTER, ...
著者Jormakka, M, Yokoyama, K, Yano, T, Tamakoshi, M, Akimoto, S, Shimamura, T, Curmi, P, Iwata, S.
登録日2008-03-09
公開日2008-06-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular Mechanism of Energy Conservation in Polysulfide Respiration.
Nat.Struct.Mol.Biol., 15, 2008
4X0S
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BU of 4x0s by Molmil
Hexamer formed by a macrocycle containing a sequence from beta-2-microglobulin (63-69).
分子名称: CHLORIDE ION, ORN-TYR-LEU-LEU-PHI-TYR-VAL-GLU-ORN-LYS-VAL-ALA-MAA-ALA-VAL-LYS, SODIUM ION, ...
著者Spencer, R.K, Salveson, P.J, Nowick, J.S.
登録日2014-11-23
公開日2015-05-06
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.032 Å)
主引用文献X-ray Crystallographic Structures of Oligomers of Peptides Derived from beta 2-Microglobulin.
J.Am.Chem.Soc., 137, 2015
5MG2
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BU of 5mg2 by Molmil
Crystal structure of the second bromodomain of human TAF1 in complex with BAY-299 chemical probe
分子名称: 1,2-ETHANEDIOL, 6-(3-oxidanylpropyl)-2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione, Transcription initiation factor TFIID subunit 1
著者Tallant, C, Bouche, L, Holton, S.J, Fedorov, O, Siejka, P, Picaud, S, Krojer, T, Srikannathasan, V, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hartung, I.V, Haendler, B, Muller, S, Huber, K.V.M, Structural Genomics Consortium (SGC)
登録日2016-11-20
公開日2017-05-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains.
J. Med. Chem., 60, 2017
1JNR
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BU of 1jnr by Molmil
Structure of adenylylsulfate reductase from the hyperthermophilic Archaeoglobus fulgidus at 1.6 resolution
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, IRON/SULFUR CLUSTER, ...
著者Fritz, G, Roth, A, Schiffer, A, Buechert, T, Bourenkov, G, Bartunik, H.D, Huber, H, Stetter, K.O, Kroneck, P.M.H, Ermler, U.
登録日2001-07-25
公開日2002-02-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of adenylylsulfate reductase from the hyperthermophilic Archaeoglobus fulgidus at 1.6-A resolution
Proc.Natl.Acad.Sci.USA, 99, 2002

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