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8FFX
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BU of 8ffx by Molmil
Crystal structure of HIV-1 reverse transcriptase in complex with non-nucleoside inhibitor 19980
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Reverse transcriptase/ribonuclease H, ...
著者Rumrill, S.R, Ruiz, F.X, Arnold, E.
登録日2022-12-10
公開日2023-04-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Targeting HIV-1 Reverse Transcriptase Using a Fragment-Based Approach.
Molecules, 28, 2023
5C5H
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BU of 5c5h by Molmil
R195K E. coli MenE with bound OSB-AMS
分子名称: 2-succinylbenzoate--CoA ligase, 5'-O-{[4-(2-carboxyphenyl)-4-oxobutanoyl]sulfamoyl}adenosine, MAGNESIUM ION
著者Matarlo, J.S, Shek, R, Rajashankar, K.R, Tonge, P.J, French, J.B.
登録日2015-06-19
公開日2015-10-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Mechanism of MenE Inhibition by Acyl-Adenylate Analogues and Discovery of Novel Antibacterial Agents.
Biochemistry, 54, 2015
2A06
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BU of 2a06 by Molmil
Bovine cytochrome bc1 complex with stigmatellin bound
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, AZIDE ION, CARDIOLIPIN, ...
著者Huang, L.S, Cobessi, D, Tung, E.Y, Berry, E.A.
登録日2005-06-16
公開日2005-06-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Binding of the Respiratory Chain Inhibitor Antimycin to the Mitochondrial bc(1) Complex: A New Crystal Structure Reveals an Altered Intramolecular Hydrogen-bonding Pattern.
J.Mol.Biol., 351, 2005
4QV0
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BU of 4qv0 by Molmil
yCP beta5-A49T-A50V-double mutant
分子名称: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
著者Huber, E.M, Heinemeyer, W, Groll, M.
登録日2014-07-14
公開日2015-02-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
4QVY
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BU of 4qvy by Molmil
yCP beta5-A49T-mutant in complex with bortezomib
分子名称: CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ...
著者Huber, E.M, Heinemeyer, W, Groll, M.
登録日2014-07-16
公開日2015-02-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
3I6A
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BU of 3i6a by Molmil
Human GST A1-1 GIMF mutant with Glutathione
分子名称: GLUTATHIONE, Glutathione S-transferase A1
著者Balogh, L.M, Le Trong, I, Stenkamp, R.E, Atkins, W.M.
登録日2009-07-06
公開日2009-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structural analysis of a glutathione transferase A1-1 mutant tailored for high catalytic efficiency with toxic alkenals.
Biochemistry, 48, 2009
3HLN
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BU of 3hln by Molmil
Crystal structure of ClpP A153C mutant with inter-heptamer disulfide bonds
分子名称: ATP-dependent Clp protease proteolytic subunit, CALCIUM ION
著者Kimber, M.S, Yu, A.Y.H, Borg, M, Chan, H.S, Houry, W.A.
登録日2009-05-27
公開日2010-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural and Theoretical Studies Indicate that the Cylindrical Protease ClpP Samples Extended and Compact Conformations.
Structure, 18, 2010
5C7F
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BU of 5c7f by Molmil
Crystal structure of the rice Topless related protein 2 (TPR2) N-terminal domain (1-209) in complex with Arabidopsis IAA1 peptide
分子名称: ASPR2 protein, Auxin-responsive protein IAA1, ZINC ION
著者Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
登録日2015-06-24
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for recognition of diverse transcriptional repressors by the TOPLESS family of corepressors.
Sci Adv, 1, 2015
4QVN
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yCP beta5-M45V mutant in complex with bortezomib
分子名称: CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ...
著者Huber, E.M, Heinemeyer, W, Groll, M.
登録日2014-07-15
公開日2015-02-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
4QWR
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BU of 4qwr by Molmil
yCP beta5-C52F mutant in complex with carfilzomib
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Huber, E.M, Heinemeyer, W, Groll, M.
登録日2014-07-17
公開日2015-02-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
4QWF
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BU of 4qwf by Molmil
yCP beta5-M45I mutant in complex with carfilzomib
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Huber, E.M, Heinemeyer, W, Groll, M.
登録日2014-07-16
公開日2015-02-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
6FWK
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BU of 6fwk by Molmil
The crystal structure of Pol2CORE-M644G in complex with DNA and an incoming nucleotide
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(P*TP*AP*AP*CP*CP*GP*CP*GP*TP*TP*(DOC))-3'), ...
著者Parkash, V, Johansson, E.
登録日2018-03-06
公開日2019-01-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Structural consequence of the most frequently recurring cancer-associated substitution in DNA polymerase epsilon.
Nat Commun, 10, 2019
2F6V
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BU of 2f6v by Molmil
Protein tyrosine phosphatase 1B with sulfamic acid inhibitors
分子名称: (3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER, CHLORIDE ION, MAGNESIUM ION, ...
著者Evdokimov, A.G, Pokross, M.E, Klopfenstein, S.R.
登録日2005-11-29
公開日2005-12-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献1,2,3,4-Tetrahydroisoquinolinyl sulfamic acids as phosphatase PTP1B inhibitors
Bioorg.Med.Chem.Lett., 16, 2006
4R00
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BU of 4r00 by Molmil
yCP beta5-C52F mutant in complex with Omuralide
分子名称: CHLORIDE ION, MAGNESIUM ION, Omuralide, ...
著者Huber, E.M, Heinemeyer, W, Groll, M.
登録日2014-07-29
公開日2015-02-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
2F8M
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BU of 2f8m by Molmil
Ribose 5-phosphate isomerase from Plasmodium falciparum
分子名称: PHOSPHATE ION, ribose 5-phosphate isomerase
著者Holmes, M.A, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2005-12-02
公開日2005-12-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.087 Å)
主引用文献Structure of ribose 5-phosphate isomerase from Plasmodium falciparum.
Acta Crystallogr.,Sect.F, 62, 2006
4QVV
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BU of 4qvv by Molmil
yCP beta5-A49V mutant in complex with bortezomib
分子名称: CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ...
著者Huber, E.M, Heinemeyer, W, Groll, M.
登録日2014-07-16
公開日2015-02-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
4QWU
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BU of 4qwu by Molmil
yCP beta5-C52F mutant in complex with bortezomib
分子名称: CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ...
著者Huber, E.M, Heinemeyer, W, Groll, M.
登録日2014-07-17
公開日2015-02-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
4QWS
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BU of 4qws by Molmil
yCP beta5-C63F mutant in complex with carfilzomib
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Huber, E.M, Heinemeyer, W, Groll, M.
登録日2014-07-17
公開日2015-02-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
4QZ6
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BU of 4qz6 by Molmil
yCP beta5-A49T-A50V double mutant in complex with the epoxyketone inhibitor ONX 0914
分子名称: 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Huber, E.M, Heinemeyer, W, Groll, M.
登録日2014-07-27
公開日2015-02-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
4QZX
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BU of 4qzx by Molmil
yCP beta5-C63F mutant in complex with the epoxyketone inhibitor ONX 0914
分子名称: 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Huber, E.M, Heinemeyer, W, Groll, M.
登録日2014-07-29
公開日2015-02-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
6G49
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BU of 6g49 by Molmil
Crystal structure of the periplasmic domain of TgpA from Pseudomonas aeruginosa
分子名称: CHLORIDE ION, PHOSPHATE ION, Protein-glutamine gamma-glutamyltransferase
著者Milani, M, Mastrangelo, E, Uruburu, M.
登録日2018-03-27
公開日2019-04-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and functional characterization of TgpA, a critical protein for the viability of Pseudomonas aeruginosa.
J.Struct.Biol., 205, 2019
4FEU
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BU of 4feu by Molmil
Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor anthrapyrazolone SP600125
分子名称: 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ...
著者Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-05-30
公開日2012-06-20
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance.
Biochem.J., 454, 2013
5EDF
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BU of 5edf by Molmil
Crystal structure of the selenomethionine-substituted iron-regulated protein FrpD from Neisseria meningitidis
分子名称: AZIDE ION, FrpC operon protein, HEXAETHYLENE GLYCOL, ...
著者Sviridova, E, Bumba, L, Rezacova, P, Sebo, P, Kuta Smatanova, I.
登録日2015-10-21
公開日2017-02-01
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis of the interaction between the putative adhesion-involved and iron-regulated FrpD and FrpC proteins of Neisseria meningitidis.
Sci Rep, 7, 2017
2NV7
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Crystal Structure of Estrogen Receptor Beta Complexed with WAY-555
分子名称: 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME, Estrogen receptor beta, Nuclear receptor coactivator 1
著者Mewshaw, R.E, Bowen, M.S, Harris, H.A, Xu, Z.B, Manas, E.S, Cohn, S.T, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-11-10
公開日2007-08-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献ERbeta ligands. Part 5: synthesis and structure-activity relationships of a series of 4'-hydroxyphenyl-aryl-carbaldehyde oxime derivatives.
Bioorg.Med.Chem.Lett., 17, 2007
4I54
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Crystal structure of clade A/E 93TH057 HIV-1 gp120 H375S core in complex with DMJ-II-121
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 glycoprotein, ...
著者Le-Khac, M, Hendrickson, W.A.
登録日2012-11-28
公開日2013-05-29
最終更新日2021-05-26
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Design and Synthesis of an HIV-1 Entry Inhibitor Exploiting X-Ray and Thermodynamic Characterization.
ACS Med Chem Lett, 4, 2013

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