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7RVF
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BU of 7rvf by Molmil
Segment from the Y169F mutant of the bank vole prion protein 168-176 QFNNQNNFV
Descriptor: Major prion protein
Authors:Glynn, C, Rodriguez, J.A, Hernandez, E.
Deposit date:2021-08-18
Release date:2022-08-24
Last modified:2024-05-22
Method:ELECTRON CRYSTALLOGRAPHY (1 Å)
Cite:Structural and Biophysical Consequences of Sequence Variation in the B2a2 Loop of Mammalian Prions
To be published
9GO6
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BU of 9go6 by Molmil
Salmonella hook-filament junction complex
Descriptor: Flagellar hook protein FlgE, Flagellar hook-associated protein, Flagellar hook-associated protein 1, ...
Authors:Qin, K, Einenkel, R, Erhardt, E, Bergeron, J.R.
Deposit date:2024-09-04
Release date:2025-04-09
Last modified:2025-07-16
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:The structure of the complete extracellular bacterial flagellum reveals the mechanism of flagellin incorporation.
Nat Microbiol, 10, 2025
7RRF
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BU of 7rrf by Molmil
Carbonic Anhydrase IX-mimic in complex with Beta-Galactose_2C
Descriptor: 2-[1-(1,1,3-trioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]ethyl beta-L-gulopyranoside, Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, McKenna, R.
Deposit date:2021-08-09
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Inhibition of Carbonic Anhydrase IX and Monocarboxylate Transporters 1 and 4 in breast cancer via novel inhibition with Beta-Galactose 2C
To Be Published
1MAW
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BU of 1maw by Molmil
Crystal Structure of Tryptophanyl-tRNA Synthetase Complexed with ATP in an Open Conformation
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, TRYPTOPHAN-TRNA LIGASE
Authors:Retailleau, P, Huang, X, Yin, Y, Hu, M, Weinreb, V, Vachette, P, Vonrhein, C, Bricogne, G, Roversi, P, Ilyin, V, Carter Jr, C.W.
Deposit date:2002-08-02
Release date:2003-01-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Interconversion of ATP binding and conformational free energies by tryptophanyl-tRNA synthetase: structures of ATP bound to open and closed, pre-transition-state conformations.
J.Mol.Biol., 325, 2003
9FZ5
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BU of 9fz5 by Molmil
Cryo-EM structure of LptDE-YedD complex from Escherichia Coli
Descriptor: LPS-assembly lipoprotein LptE, LPS-assembly protein LptD, Uncharacterized lipoprotein YedD
Authors:Nguyen, V.S, Remaut, H, Collet, J.F, Gennaris, A, Thouvenel, L.
Deposit date:2024-07-04
Release date:2025-04-09
Method:ELECTRON MICROSCOPY (3.57 Å)
Cite:Optimal functioning of the Lpt bridge depends on a ternary complex between the lipocalin YedD and the LptDE translocon.
Cell Rep, 44, 2025
1MK4
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BU of 1mk4 by Molmil
Structure of Protein of Unknown Function YqjY from Bacillus subtilis, Probable Acetyltransferase
Descriptor: Hypothetical protein yqjY
Authors:Zhang, R, Dementiva, I, Mo, A, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2002-08-28
Release date:2003-04-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:1.7A crystal structure of a hypothetical protein yqjY from Bacillus subtilis
To be Published
7R80
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BU of 7r80 by Molmil
Crystal structure of C3 TCR complex with QW9-bound HLA-B*5301
Descriptor: Alpha chain of C3 TCR, Beta Chain of C3 TCR, Beta-2-microglobulin, ...
Authors:Li, X.L, Tan, K.M, Walker, B.D, Wang, J.H.
Deposit date:2021-06-25
Release date:2022-06-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide.
Nat Commun, 14, 2023
9GB0
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BU of 9gb0 by Molmil
Extended phiCD508 portal adjacent capsid
Descriptor: gp48 - Minor capsid protein, gp49 - Major capsid protein
Authors:Wilson, J.S, Fagan, R.P, Bullough, P.A.
Deposit date:2024-07-29
Release date:2025-03-26
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Molecular mechanism of bacteriophage contraction structure of an S-layer-penetrating bacteriophage.
Life Sci Alliance, 8, 2025
1MKL
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BU of 1mkl by Molmil
NMR REFINED STRUCTURE OF THE 8,9-DIHYDRO-8-(N7-GUANYL)-9-HYDROXY-AFLATOXIN B1 ADDUCT IN A 5'-CPAFBG-3' SEQUENCE
Descriptor: 5'-D(*AP*CP*AP*TP*CP*GP*AP*TP*CP*T)-3', 5'-D(*AP*GP*AP*TP*CP*GP*AP*TP*GP*T)-3', 8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1
Authors:Giri, I, Jenkins, M.D, Schnetz-Boutaud, N.C, Stone, M.P.
Deposit date:2002-08-29
Release date:2002-10-16
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural refinement of the 8,9-dihydro-8-(N7-guanyl)-9-hydroxy-aflatoxin B(1) adduct in a 5'-Cp(AFB)G-3' sequence.
Chem.Res.Toxicol., 15, 2002
1MKR
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BU of 1mkr by Molmil
Crystal Structure of a Mutant Variant of Cytochrome c Peroxidase (Plate like crystals)
Descriptor: Cytochrome c Peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Bhaskar, B, Immoos, C.E, Shimizu, H, Farmer, P.J, Poulos, T.L.
Deposit date:2002-08-29
Release date:2003-04-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:A Novel Heme and Peroxide-Dependent Tryptophan-Tyrosine Cross-Link in a Mutant of Cytochrome c Peroxidase
J.Mol.Biol., 328, 2003
7RWP
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BU of 7rwp by Molmil
Crystal Structure of BPTF bromodomain in complex with 5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one
Descriptor: 5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one, CALCIUM ION, Nucleosome-remodeling factor subunit BPTF
Authors:Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
Deposit date:2021-08-20
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
9G0Z
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BU of 9g0z by Molmil
auxin transporter PIN8 as symmetric dimer (outward/outward) with 4-CPA bound in the outward binding state
Descriptor: 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-(4-chloranylphenoxy)ethanoic acid, Auxin efflux carrier component 8
Authors:Ung, K.L, Stokes, D.L, Pedersen, B.P.
Deposit date:2024-07-09
Release date:2025-04-09
Last modified:2025-04-16
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite:Transport of herbicides by PIN-FORMED auxin transporters.
Biorxiv, 2024
1ML5
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BU of 1ml5 by Molmil
Structure of the E. coli ribosomal termination complex with release factor 2
Descriptor: 30S 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ...
Authors:Klaholz, B.P, Pape, T, Zavialov, A.V, Myasnikov, A.G, Orlova, E.V, Vestergaard, B, Ehrenberg, M, van Heel, M.
Deposit date:2002-08-30
Release date:2003-01-14
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (14 Å)
Cite:Structure of the Escherichia coli ribosomal termination complex with release factor 2
Nature, 421, 2003
9G58
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BU of 9g58 by Molmil
Pseudomonas fluorescens periplasmic aspartic peptidase Pfl01_1762 (RloA)
Descriptor: Putative ATP-dependent zinc protease domain-containing protein
Authors:Lormand, J.D, Sondermann, H.
Deposit date:2024-07-16
Release date:2025-04-09
Last modified:2025-04-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Secreted retropepsin-like enzymes are essential for stress tolerance and biofilm formation in Pseudomonas aeruginosa.
Biorxiv, 2025
7R8T
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BU of 7r8t by Molmil
High-resolution crystal structure of CYP199A4 bound to 4-ethylbenzoic acid
Descriptor: 4-ethylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2021-06-27
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.366 Å)
Cite:High-resolution crystal structure of CYP199A4 bound to 4-ethylbenzoic acid
To Be Published
9GM8
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BU of 9gm8 by Molmil
MukBEF in a nucleotide-bound state with open neck gate
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Acyl carrier protein, Chromosome partition protein MukB, ...
Authors:Burmann, F, Lowe, J.
Deposit date:2024-08-28
Release date:2025-03-26
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Mechanism of DNA capture by the MukBEF SMC complex and its inhibition by a viral DNA mimic.
Cell, 188, 2025
1MC1
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BU of 1mc1 by Molmil
BETA-LACTAM SYNTHETASE WITH PRODUCT (DGPC), AMP AND PPI
Descriptor: ADENOSINE MONOPHOSPHATE, BETA-LACTAM SYNTHETASE, DEOXYGUANIDINOPROCLAVAMINIC ACID, ...
Authors:Miller, M.T, Bachmann, B.O, Townsend, C.A, Rosenzweig, A.C.
Deposit date:2002-08-04
Release date:2002-10-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:The catalytic cycle of beta -lactam synthetase observed by x-ray crystallographic snapshots
Proc.Natl.Acad.Sci.USA, 99, 2002
1MCR
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BU of 1mcr by Molmil
PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS
Descriptor: IMMUNOGLOBULIN LAMBDA DIMER MCG (LIGHT CHAIN), PEPTIDE N-ACETYL-L-HIS-D-PRO-OH
Authors:Edmundson, A.B, Harris, D.L, Fan, Z.-C, Guddat, L.W.
Deposit date:1993-02-25
Release date:1994-01-31
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Principles and pitfalls in designing site-directed peptide ligands.
Proteins, 16, 1993
7RPC
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BU of 7rpc by Molmil
X-ray crystal structure of OXA-24/40 K84D in complex with ertapenem
Descriptor: (1S,4R,5S,6S)-3-{[(3S,5S)-5-carbamoylpyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, BICARBONATE ION, Beta-lactamase, ...
Authors:Powers, R.A, Mitchell, J.M, June, C.M.
Deposit date:2021-08-03
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Conformational flexibility in carbapenem hydrolysis drives substrate specificity of the class D carbapenemase OXA-24/40.
J.Biol.Chem., 298, 2022
9GLA
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BU of 9gla by Molmil
Crystal structure of a CDK2-based CDK7 mimic with inhibitor SY5609
Descriptor: 7-dimethylphosphoryl-3-[2-[[(3~{S})-6,6-dimethylpiperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1~{H}-indole-6-carbonitrile, Cyclin-A2, Cyclin-dependent kinase 2, ...
Authors:Skerlova, J, Krejcirikova, V, Rezacova, P.
Deposit date:2024-08-27
Release date:2025-04-02
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:CDK2-based CDK7 mimic as a tool for structural analysis: Biochemical validation and crystal structure with SY5609.
Int.J.Biol.Macromol., 294, 2025
1MD6
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BU of 1md6 by Molmil
High resolution crystal structure of murine IL-1F5 reveals unique loop conformation for specificity
Descriptor: interleukin 1 family, member 5 (delta)
Authors:Pei, X.Y, Dunn, E.F, Gay, N.J, O'Neill, L.A.
Deposit date:2002-08-07
Release date:2003-09-30
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High-Resolution Structure of Murine Interleukin 1 Homologue IL-1F5 Reveals Unique Loop Conformations for Receptor Binding Specificity.
Biochemistry, 42, 2003
9G8S
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BU of 9g8s by Molmil
C3 reconstruction of extended phiCD508 needle
Descriptor: Baseplate J family protein, FE (II) ION, Peptidoglycan-binding LysM protein, ...
Authors:Wilson, J.S, Fagan, R.P, Bullough, P.A.
Deposit date:2024-07-23
Release date:2025-04-09
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Molecular mechanism of bacteriophage contraction structure of an S-layer-penetrating bacteriophage.
Life Sci Alliance, 8, 2025
9G0X
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BU of 9g0x by Molmil
auxin transporter PIN8 as asymmetric dimer (inward/outward) with 4-CPA bound in the inward vestibule prebinding state
Descriptor: 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-(4-chloranylphenoxy)ethanoic acid, Auxin efflux carrier component 8
Authors:Ung, K.L, Stokes, D.L, Pedersen, B.P.
Deposit date:2024-07-09
Release date:2025-04-09
Last modified:2025-04-16
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Transport of herbicides by PIN-FORMED auxin transporters.
Biorxiv, 2024
7RUH
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BU of 7ruh by Molmil
Bromodomain-containing protein 4 (BRD4) bromodomain 2 (BD2) complexed with XR844
Descriptor: Bromodomain-containing protein 4, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(5-{[(2-fluorophenyl)carbamoyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indol-4-yl}-2,2,2-trifluoroethane-1-sulfonamide
Authors:Ratia, K.M, Xiong, R, Li, Y, Shen, Z, Zhao, J, Huang, F, Dubrovyskyii, O, Thatcher, G.R.
Deposit date:2021-08-17
Release date:2022-08-24
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Bromodomain-containing protein 4 (BRD4) bromodomain 2 (BD2) complexed with XR844
To Be Published
1MI8
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BU of 1mi8 by Molmil
2.0 Angstrom crystal structure of a DnaB intein from Synechocystis sp. PCC 6803
Descriptor: DnaB intein
Authors:Ding, Y, Chen, X, Ferrandon, S, Xu, M, Rao, Z.
Deposit date:2002-08-22
Release date:2003-08-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of mini-intein reveals a conserved catalytic module involved in side chain cyclization of asparagine during protein splicing
J.Biol.Chem., 278, 2003

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