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7ACO
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BU of 7aco by Molmil
Crystal structure of E. coli HTH-type transcriptional regulator RcdA in complex with Tris at 1.80 A resolution
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HTH-type transcriptional regulator RcdA
著者Pietrzyk-Brzezinska, A.J, Cociurovscaia, A.
登録日2020-09-11
公開日2021-08-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Structures of the TetR-like transcription regulator RcdA alone and in complexes with ligands.
Proteins, 90, 2022
3VRJ
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BU of 3vrj by Molmil
HLA-B*57:01-LTTKLTNTNI in complex with abacavir
分子名称: 10-mer peptide, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Vivian, J.P, Illing, P.T, McCluskey, J, Rossjohn, J.
登録日2012-04-11
公開日2012-05-30
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Immune self-reactivity triggered by drug-modified HLA-peptide repertoire
Nature, 486, 2012
8Q28
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BU of 8q28 by Molmil
Se-Met labelled TtX122A - A domain of unknown function from the Teredinibacter turnerae protein TERTU_3803
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Gluconolactonase domain protein, ...
著者Rajagopal, B.S, Hemsworth, G.R.
登録日2023-08-01
公開日2024-03-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural dissection of two redox proteins from the shipworm symbiont Teredinibacter turnerae.
Iucrj, 11, 2024
3EHA
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BU of 3eha by Molmil
Crystal structure of death associated protein kinase complexed with AMPPNP
分子名称: Death-associated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者McNamara, L.K, Watterson, D.M, Brunzelle, J.S.
登録日2008-09-11
公開日2009-04-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insight into nucleotide recognition by human death-associated protein kinase.
Acta Crystallogr.,Sect.D, 65, 2009
1MF2
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BU of 1mf2 by Molmil
ANTI HIV1 PROTEASE FAB COMPLEX
分子名称: MONOCLONAL ANTIBODY F11.2.32
著者Lescar, J, Bentley, G.A.
登録日1996-12-27
公開日1997-12-31
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Three-dimensional structure of an Fab-peptide complex: structural basis of HIV-1 protease inhibition by a monoclonal antibody.
J.Mol.Biol., 267, 1997
3N0S
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BU of 3n0s by Molmil
Crystal structure of BA2930 mutant (H183A) in complex with AcCoA
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETYL COENZYME *A, Aminoglycoside N3-acetyltransferase, ...
著者Klimecka, M.M, Chruszcz, M, Porebski, P.J, Cymborowski, M, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-05-14
公開日2010-06-09
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural Analysis of a Putative Aminoglycoside N-Acetyltransferase from Bacillus anthracis.
J.Mol.Biol., 410, 2011
3VI1
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BU of 3vi1 by Molmil
Crystal structure of Pseudomonas aerginosa alkaline protease complexed with Substance P(1-6)
分子名称: Alkaline metalloproteinase, CALCIUM ION, Substance P1-6, ...
著者Matoba, K, Harada, S.
登録日2011-09-13
公開日2012-09-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Pseudomonas aerginosa alkaline protease complexed with Substance P(1-6)
To be Published
8Q5R
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BU of 8q5r by Molmil
HpARI bound to mouse IL-33
分子名称: 1,2-ETHANEDIOL, Alarmin release inhibitor, CHLORIDE ION, ...
著者Jamwal, A, Higgins, M.K.
登録日2023-08-09
公開日2024-05-08
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for IL-33 recognition and its antagonism by the helminth effector protein HpARI2.
Nat Commun, 15, 2024
3MY5
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BU of 3my5 by Molmil
CDk2/cyclinA in complex with DRB
分子名称: 5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole, Cell division protein kinase 2, Cyclin-A2, ...
著者Baumli, S, Johnson, L.N.
登録日2010-05-09
公開日2010-09-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Halogen bonds form the basis for selective P-TEFb inhibition by DRB
Chem.Biol., 17, 2010
3LZM
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BU of 3lzm by Molmil
STRUCTURAL STUDIES OF MUTANTS OF T4 LYSOZYME THAT ALTER HYDROPHOBIC STABILIZATION
分子名称: T4 LYSOZYME
著者Wilson, K, Faber, R, Dao-Pin, S, Matthews, B.W.
登録日1989-05-01
公開日1990-01-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural studies of mutants of T4 lysozyme that alter hydrophobic stabilization.
J.Biol.Chem., 264, 1989
1ZKD
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BU of 1zkd by Molmil
X-Ray structure of the putative protein Q6N1P6 from Rhodopseudomonas palustris at the resolution 2.1 A , Northeast Structural Genomics Consortium target RpR58
分子名称: DUF185
著者Kuzin, A.P, Yong, W, Vorobiev, S.M, Acton, T, Ma, L, Xiao, R, Montelione, G, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2005-05-02
公開日2005-05-10
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献X-Ray structure of the putative protein Q6N1P6 from Rhodopseudomonas palustris at the resolution 2.1 A , Northeast Structural Genomics Consortium target RpR58
To be Published
6SA0
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BU of 6sa0 by Molmil
Ternary complex of Prim-PolC from Mycobacterium smegmatis with 2nt gapped DNA and UpNHpp
分子名称: 1,2-ETHANEDIOL, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, CACODYLATE ION, ...
著者Brissett, N.C, Doherty, A.J.
登録日2019-07-15
公開日2020-11-18
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.209 Å)
主引用文献Molecular basis for DNA repair synthesis on short gaps by mycobacterial Primase-Polymerase C.
Nat Commun, 11, 2020
9GIO
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BU of 9gio by Molmil
Crystal structure of the VHL-EloC-EloB complex with a covalent compound bound to C77 of VHL.
分子名称: Elongin-B, Isoform 2 of Elongin-C, N-[2-(dimethylsulfamoyl)-5-[(1-methylpyrazol-4-yl)methoxy]phenyl]propanamide, ...
著者Collie, G.W.
登録日2024-08-19
公開日2025-03-26
最終更新日2025-04-30
実験手法X-RAY DIFFRACTION (1.486 Å)
主引用文献Discovery of a Series of Covalent Ligands That Bind to Cys77 of the Von Hippel-Lindau Tumor Suppressor Protein (VHL).
Acs Med.Chem.Lett., 16, 2025
2OYC
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BU of 2oyc by Molmil
Crystal structure of human pyridoxal phosphate phosphatase
分子名称: Pyridoxal phosphate phosphatase, SODIUM ION, TUNGSTATE(VI)ION
著者Ramagopal, U.A, Freeman, J, Izuka, M, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-02-21
公開日2007-03-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
3MI7
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BU of 3mi7 by Molmil
An Enhanced Repressor of Human Papillomavirus E2 Protein
分子名称: 1,2-ETHANEDIOL, Regulatory protein E2
著者Bohm, A, Baleja, J, Bose, K, Meinke, G.
登録日2010-04-09
公開日2011-04-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design and characterization of an enhanced repressor of human papillomavirus E2 protein.
Faseb J., 25, 2011
7A2A
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BU of 7a2a by Molmil
Crystal Structure of EGFR-T790M/V948R in Complex with Spebrutinib and EAI001
分子名称: (2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide, CHLORIDE ION, Epidermal growth factor receptor, ...
著者Niggenaber, J, Mueller, M.P, Rauh, D.
登録日2020-08-17
公開日2020-11-11
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Complex Crystal Structures of EGFR with Third-Generation Kinase Inhibitors and Simultaneously Bound Allosteric Ligands.
Acs Med.Chem.Lett., 11, 2020
1E4O
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BU of 1e4o by Molmil
Phosphorylase recognition and phosphorolysis of its oligosaccharide substrate: answers to a long outstanding question
分子名称: MALTODEXTRIN PHOSPHORYLASE, PYRIDOXAL-5'-PHOSPHATE, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Watson, K.A, McCleverty, C, Geremia, S, Cottaz, S, Driguez, H, Johnson, L.N.
登録日2000-07-11
公開日2000-08-16
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Phosphorylase Recognition and Phosphorylysis of its Oligosaccharide Substrate: Answers to a Long Outstanding Question
Embo J., 18, 1999
3UVX
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BU of 3uvx by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H4K12acK16ac)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, FORMIC ACID, ...
著者Filippakopoulos, P, Picaud, S, Keates, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2011-11-30
公開日2012-01-25
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
6SAC
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BU of 6sac by Molmil
N-terminal expression tag remainder of human Carbonic Anhydrase II covalently modified by fragment
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine, Carbonic anhydrase 2, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2019-07-16
公開日2020-04-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
7AEY
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BU of 7aey by Molmil
Salmonella typhimurium neuraminidase in complex with isocarba-DANA.
分子名称: (3~{S},4~{S},5~{R})-4-acetamido-3-oxidanyl-5-[(1~{S},2~{R})-1,2,3-tris(oxidanyl)propyl]cyclohexane-1-carboxylic acid, GLYCEROL, PHOSPHATE ION, ...
著者Salinger, M.T, Kuhn, P, Laver, W.G, Pape, T, Schneider, T.R, Sheldrick, G.M, Vasella, A.T, Vimr, E.R, Vorwerk, S, Garman, E.F.
登録日2020-09-18
公開日2020-10-21
最終更新日2025-10-01
実験手法X-RAY DIFFRACTION (0.919 Å)
主引用文献Salmonella typhimurium neuraminidase in complex with isocarba-DANA.
To Be Published
3MOB
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BU of 3mob by Molmil
Crystal structure of the neutralizing HIV antibody 2F5 Fab fragment (recombinantly produced Fab) with 11 aa gp41 MPER-derived peptide
分子名称: ANTI-HIV-1 ANTIBODY 2F5 HEAVY CHAIN, ANTI-HIV-1 ANTIBODY 2F5 LIGHT CHAIN, gp41 MPER-derived peptide
著者Nicely, N.I, Dennison, S.M, Kelsoe, G, Liao, H.-X, Alam, S.M, Haynes, B.F.
登録日2010-04-22
公開日2010-11-17
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of a Non-Neutralizing HIV-1 gp41 Envelope Antibody Demonstrates Neutralization Mechanism of gp41 Antibodies
To be Published
9FZB
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BU of 9fzb by Molmil
Human p53 DNA-binding domain bound to DARPin C10-H82R
分子名称: 1,2-ETHANEDIOL, Cellular tumor antigen p53, DARPin C10-H82R, ...
著者Yuksel, B, Balourdas, D.I, Muenick, P, Knapp, S, Doetsch, V, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2024-07-05
公開日2025-04-02
最終更新日2025-05-28
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献DARPin-induced reactivation of p53 in HPV-positive cells.
Nat.Struct.Mol.Biol., 32, 2025
3UQ0
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BU of 3uq0 by Molmil
Crystal structure of the post-catalytic product complex of polymerase lambda with an rAMP at the primer terminus.
分子名称: 1,2-ETHANEDIOL, 5'-D(*CP*AP*GP*TP*AP*CP)-R(P*A)-3', 5'-D(*CP*GP*GP*CP*TP*GP*TP*AP*CP*TP*G)-3', ...
著者Gosavi, R.A, Moon, A.F, Kunkel, T.A, Pedersen, L.C, Bebenek, K.
登録日2011-11-18
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献The catalytic cycle for ribonucleotide incorporation by human DNA Pol lambda
Nucleic Acids Res., 40, 2012
3MTF
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BU of 3mtf by Molmil
Crystal structure of the ACVR1 kinase in complex with a 2-aminopyridine inhibitor
分子名称: 1,2-ETHANEDIOL, 3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol, Activin receptor type-1, ...
著者Chaikuad, A, Sanvitale, C, Cooper, C, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Canning, P, Krojer, T, Vollmar, M, Knapp, S, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2010-04-30
公開日2010-06-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A new class of small molecule inhibitor of BMP signaling.
Plos One, 8, 2013
6SKR
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BU of 6skr by Molmil
OXA-10_ETP. Structural insight to the enhanced carbapenem efficiency of OXA-655 compared to OXA-10.
分子名称: (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, FORMIC ACID, ...
著者Leiros, H.-K.S.
登録日2019-08-16
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural insights into the enhanced carbapenemase efficiency of OXA-655 compared to OXA-10.
Febs Open Bio, 10, 2020

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