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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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HTH-type transcriptional regulator RcdA
Authors:Pietrzyk-Brzezinska, A.J, Cociurovscaia, A.
Deposit date:2020-09-11
Release date:2021-08-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.798 Å)
Cite: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
Descriptor: 10-mer peptide, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Vivian, J.P, Illing, P.T, McCluskey, J, Rossjohn, J.
Deposit date:2012-04-11
Release date:2012-05-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Gluconolactonase domain protein, ...
Authors:Rajagopal, B.S, Hemsworth, G.R.
Deposit date:2023-08-01
Release date:2024-03-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: Death-associated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:McNamara, L.K, Watterson, D.M, Brunzelle, J.S.
Deposit date:2008-09-11
Release date:2009-04-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: MONOCLONAL ANTIBODY F11.2.32
Authors:Lescar, J, Bentley, G.A.
Deposit date:1996-12-27
Release date:1997-12-31
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETYL COENZYME *A, Aminoglycoside N3-acetyltransferase, ...
Authors:Klimecka, M.M, Chruszcz, M, Porebski, P.J, Cymborowski, M, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-05-14
Release date:2010-06-09
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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)
Descriptor: Alkaline metalloproteinase, CALCIUM ION, Substance P1-6, ...
Authors:Matoba, K, Harada, S.
Deposit date:2011-09-13
Release date:2012-09-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Alarmin release inhibitor, CHLORIDE ION, ...
Authors:Jamwal, A, Higgins, M.K.
Deposit date:2023-08-09
Release date:2024-05-08
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole, Cell division protein kinase 2, Cyclin-A2, ...
Authors:Baumli, S, Johnson, L.N.
Deposit date:2010-05-09
Release date:2010-09-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: T4 LYSOZYME
Authors:Wilson, K, Faber, R, Dao-Pin, S, Matthews, B.W.
Deposit date:1989-05-01
Release date:1990-01-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: DUF185
Authors: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)
Deposit date:2005-05-02
Release date:2005-05-10
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, CACODYLATE ION, ...
Authors:Brissett, N.C, Doherty, A.J.
Deposit date:2019-07-15
Release date:2020-11-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.209 Å)
Cite: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.
Descriptor: Elongin-B, Isoform 2 of Elongin-C, N-[2-(dimethylsulfamoyl)-5-[(1-methylpyrazol-4-yl)methoxy]phenyl]propanamide, ...
Authors:Collie, G.W.
Deposit date:2024-08-19
Release date:2025-03-26
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (1.486 Å)
Cite: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
Descriptor: Pyridoxal phosphate phosphatase, SODIUM ION, TUNGSTATE(VI)ION
Authors: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)
Deposit date:2007-02-21
Release date:2007-03-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.72 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Regulatory protein E2
Authors:Bohm, A, Baleja, J, Bose, K, Meinke, G.
Deposit date:2010-04-09
Release date:2011-04-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: (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, ...
Authors:Niggenaber, J, Mueller, M.P, Rauh, D.
Deposit date:2020-08-17
Release date:2020-11-11
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 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
Authors:Watson, K.A, McCleverty, C, Geremia, S, Cottaz, S, Driguez, H, Johnson, L.N.
Deposit date:2000-07-11
Release date:2000-08-16
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, FORMIC ACID, ...
Authors: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)
Deposit date:2011-11-30
Release date:2012-01-25
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.91 Å)
Cite: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
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine, Carbonic anhydrase 2, ...
Authors:Gloeckner, S, Heine, A, Klebe, G.
Deposit date:2019-07-16
Release date:2020-04-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.02 Å)
Cite: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.
Descriptor: (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, ...
Authors: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.
Deposit date:2020-09-18
Release date:2020-10-21
Last modified:2025-10-01
Method:X-RAY DIFFRACTION (0.919 Å)
Cite: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
Descriptor: ANTI-HIV-1 ANTIBODY 2F5 HEAVY CHAIN, ANTI-HIV-1 ANTIBODY 2F5 LIGHT CHAIN, gp41 MPER-derived peptide
Authors:Nicely, N.I, Dennison, S.M, Kelsoe, G, Liao, H.-X, Alam, S.M, Haynes, B.F.
Deposit date:2010-04-22
Release date:2010-11-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Cellular tumor antigen p53, DARPin C10-H82R, ...
Authors:Yuksel, B, Balourdas, D.I, Muenick, P, Knapp, S, Doetsch, V, Joerger, A.C, Structural Genomics Consortium (SGC)
Deposit date:2024-07-05
Release date:2025-04-02
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (1.44 Å)
Cite: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.
Descriptor: 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', ...
Authors:Gosavi, R.A, Moon, A.F, Kunkel, T.A, Pedersen, L.C, Bebenek, K.
Deposit date:2011-11-18
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.14 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol, Activin receptor type-1, ...
Authors: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)
Deposit date:2010-04-30
Release date:2010-06-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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.
Descriptor: (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, ...
Authors:Leiros, H.-K.S.
Deposit date:2019-08-16
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural insights into the enhanced carbapenemase efficiency of OXA-655 compared to OXA-10.
Febs Open Bio, 10, 2020

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