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6APA
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BU of 6apa by Molmil
Crystal structure of TEM1 beta-lactamase mutant I263A
Descriptor: Beta-lactamase TEM
Authors:Roose, B.W, Dmochowski, I.J.
Deposit date:2017-08-17
Release date:2018-08-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:A Structural Basis for129Xe Hyper-CEST Signal in TEM-1 beta-Lactamase.
Chemphyschem, 20, 2019
8A0Z
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BU of 8a0z by Molmil
Crystal structure of Candida auris dihydrofolate reductase complexed with NADPH and pyrimethamine
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, Dihydrofolate reductase, ...
Authors:Kirkman, T.K, Dias, M.V.B.
Deposit date:2022-05-30
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of candida auris
To Be Published
8RZ1
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BU of 8rz1 by Molmil
Synthetic immunogen RH5-34EM bound to monoclonal antibody R5.034
Descriptor: R5.034 scFv, RH5-34EM
Authors:Farrell, B, Higgins, M.K.
Deposit date:2024-02-11
Release date:2024-07-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Synthetic immunogen RH5-34EM bound to monoclonal antibody R5.034
To Be Published
6SGT
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BU of 6sgt by Molmil
Cryo-EM structure of Escherichia coli AcrB and DARPin in Saposin A-nanodisc with cardiolipin
Descriptor: DARPin, Multidrug efflux pump subunit AcrB
Authors:Szewczak-Harris, A, Du, D, Newman, C, Neuberger, A, Luisi, B.F.
Deposit date:2019-08-05
Release date:2020-05-13
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Interactions of a Bacterial RND Transporter with a Transmembrane Small Protein in a Lipid Environment.
Structure, 28, 2020
6SEE
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BU of 6see by Molmil
Class2A : CENP-A nucleosome in complex with CENP-C central region
Descriptor: Centromere protein C, DNA (145-MER), Histone H2A type 2-A, ...
Authors:Ali-Ahmad, A, Bilokapic, S, Schafer, I.B, Halic, M, Sekulic, N.
Deposit date:2019-07-29
Release date:2019-08-14
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:CENP-C unwraps the human CENP-A nucleosome through the H2A C-terminal tail.
Embo Rep., 20, 2019
6F00
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BU of 6f00 by Molmil
Crystal Structure of human tRNA dihydrouridine synthase (20) dsRBD E423A mutant
Descriptor: GLYCEROL, SULFATE ION, tRNA-dihydrouridine(20) synthase [NAD(P)+]-like
Authors:Charles, B.N, Djemel, H.
Deposit date:2017-11-17
Release date:2018-12-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.163 Å)
Cite:Crystal Structure of human tRNA-dihydrouridine(20) synthase dsRBD E423A mutant
To Be Published
7L1J
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BU of 7l1j by Molmil
Mycobacterium tuberculosis dethiobiotin synthetase in complex with Tetrazole 1
Descriptor: ATP-dependent dethiobiotin synthetase BioD, GLYCEROL, SULFATE ION, ...
Authors:Pederick, J.L, Bruning, J.B.
Deposit date:2020-12-14
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Inhibition of Mycobacterium tuberculosis Dethiobiotin Synthase ( Mt DTBS): Toward Next-Generation Antituberculosis Agents.
Acs Chem.Biol., 16, 2021
6AZZ
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BU of 6azz by Molmil
Crystal structure of Pfs25 in complex with the transmission blocking antibody 1190
Descriptor: 1190 antibody, heavy chain, light chain, ...
Authors:Scally, S.W, McLeod, B, Bosch, A, King, C.R, Julien, J.P.
Deposit date:2017-09-13
Release date:2017-11-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular definition of multiple sites of antibody inhibition of malaria transmission-blocking vaccine antigen Pfs25.
Nat Commun, 8, 2017
7ZTH
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BU of 7zth by Molmil
Cryo-EM structure of holo-PdxR from Bacillus clausii bound to its target DNA in the open conformation
Descriptor: DNA (48-MER), PLP-dependent aminotransferase family protein
Authors:Freda, I, Montemiglio, L.C, Tramonti, A, Contestabile, R, Vallone, B, Exertier, C, Savino, C, Chaves Sanjuan, A, Bolognesi, M.
Deposit date:2022-05-10
Release date:2023-07-05
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural insights into the DNA recognition mechanism by the bacterial transcription factor PdxR.
Nucleic Acids Res., 51, 2023
5F6X
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BU of 5f6x by Molmil
Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 2 (mercaptobenzoxazole from cocktail screen)
Descriptor: 5-chloranyl-3~{H}-1,3-benzoxazole-2-thione, SUMO-conjugating enzyme UBC9
Authors:Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S.
Deposit date:2015-12-07
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
5BWC
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BU of 5bwc by Molmil
ACETYLCHOLINESTERASE (E.C. 3.1.1.7) FROM TORPEDO CALIFORNICA IN COMPLEX WITH THE BIS-PYRIDINIUM OXIME ORTHO-7
Descriptor: 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
Authors:Legler, P.M, Millard, C.B.
Deposit date:2015-06-07
Release date:2015-09-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:A conformational change in the peripheral anionic site of Torpedo californica acetylcholinesterase induced by a bis-imidazolium oxime.
Acta Crystallogr.,Sect.D, 71, 2015
8CUL
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BU of 8cul by Molmil
Xray ray crystal structure of OXA-24/40 in complex with CR167
Descriptor: 3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase
Authors:Fernando, M.C, Wallar, B.J, Powers, R.A.
Deposit date:2022-05-17
Release date:2023-04-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii .
Antibiotics, 12, 2023
8A85
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BU of 8a85 by Molmil
Structure of the Reconstructed Ancestor of Phenolic Acid Decarboxylase AncPAD134
Descriptor: Phenolic acid decarboxylase N134
Authors:Mokos, D, Schruefer, A, Gruber, K, Daniel, B.
Deposit date:2022-06-22
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Reconstructed ancestral sequences of bacterial phenolic acid decarboxylase show increased thermostability
To Be Published
2V5P
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BU of 2v5p by Molmil
COMPLEX STRUCTURE OF HUMAN IGF2R DOMAINS 11-13 BOUND TO IGF-II
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CATION-INDEPENDENT MANNOSE-6-PHOSPHATE RECEPTOR, INSULIN-LIKE GROWTH FACTOR II, ...
Authors:Brown, J, Delaine, C, Zaccheo, O.J, Siebold, C, Gilbert, R.J, van Boxel, G, Denley, A, Wallace, J.C, Hassan, A.B, Forbes, B.E, Jones, E.Y.
Deposit date:2007-07-06
Release date:2007-12-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Structure and Functional Analysis of the Igf-II/Igf2R Interaction
Embo J., 27, 2008
8CUM
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BU of 8cum by Molmil
X-ray crystal structure of OXA-24/40 in complex with sulfonamidoboronic acid 6d
Descriptor: 3-({[(1S)-1-boronopropyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, SULFATE ION
Authors:Fernando, M.C, Wallar, B.J, Powers, R.A.
Deposit date:2022-05-17
Release date:2023-04-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii .
Antibiotics, 12, 2023
5L9U
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BU of 5l9u by Molmil
Model of human Anaphase-promoting complex/Cyclosome (APC/C-CDH1) with a cross linked Ubiquitin variant-substrate-UBE2C (UBCH10) complex representing key features of multiubiquitination
Descriptor: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
Authors:Brown, N.G, VanderLinden, R, Dube, P, Haselbach, D, Peters, J.M, Stark, H, Schulman, B.A.
Deposit date:2016-06-11
Release date:2016-09-14
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:Dual RING E3 Architectures Regulate Multiubiquitination and Ubiquitin Chain Elongation by APC/C.
Cell, 165, 2016
8CUQ
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BU of 8cuq by Molmil
X-ray crystal structure of ADC-33 in complex with sulfonamidoboronic acid 6e
Descriptor: 3-[(4R)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid, Beta-lactamase
Authors:Fernando, M.C, Wallar, B.J, Powers, R.A.
Deposit date:2022-05-17
Release date:2023-04-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii .
Antibiotics, 12, 2023
7ZN5
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BU of 7zn5 by Molmil
Cryo-EM structure of holo-PdxR from Bacillus clausii bound to its target DNA in the closed conformation, C2 symmetry.
Descriptor: DNA (48-MER), PLP-dependent aminotransferase family protein
Authors:Freda, I, Montemiglio, L.C, Tramonti, A, Contestabile, R, Vallone, B, Exertier, C, Savino, C, Chaves Sanjuan, A, Bolognesi, M.
Deposit date:2022-04-20
Release date:2023-07-05
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural insights into the DNA recognition mechanism by the bacterial transcription factor PdxR.
Nucleic Acids Res., 51, 2023
8CUO
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BU of 8cuo by Molmil
X-ray crystal structure of OXA-24/40 in complex with sulfonamidoboronic acid 6e
Descriptor: 3-({[(1R)-1-boronopropyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, SULFATE ION
Authors:Fernando, M.C, Wallar, B.J, Powers, R.A.
Deposit date:2022-05-17
Release date:2023-04-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii .
Antibiotics, 12, 2023
8CUP
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BU of 8cup by Molmil
X-ray crystal structure of ADC-33 in complex with sulfonamidoboronic acid 6d
Descriptor: 3-[(4S)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid, Beta-lactamase
Authors:Fernando, M.C, Wallar, B.J, Powers, R.A.
Deposit date:2022-05-17
Release date:2023-04-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii .
Antibiotics, 12, 2023
7ZLA
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BU of 7zla by Molmil
Cryo-EM structure of holo-PdxR from Bacillus clausii bound to its target DNA in the half-closed conformation
Descriptor: DNA (48-MER), PLP-dependent aminotransferase family protein
Authors:Freda, I, Montemiglio, L.C, Tramonti, A, Contestabile, R, Vallone, B, Savino, C, Exertier, C, Bolognesi, M, Chaves Sanjuan, A.
Deposit date:2022-04-14
Release date:2023-07-05
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (3.99 Å)
Cite:Structural insights into the DNA recognition mechanism by the bacterial transcription factor PdxR.
Nucleic Acids Res., 51, 2023
7ZPA
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BU of 7zpa by Molmil
Cryo-EM structure of holo-PdxR from Bacillus clausii bound to its target DNA in the closed conformation, C1 symmetry
Descriptor: DNA (48-MER), PLP-dependent aminotransferase family protein
Authors:Freda, I, Montemiglio, L.C, Tramonti, A, Contestabile, R, Vallone, B, Exertier, C, Savino, C, Chaves Sanjuan, A, Bolognesi, M.
Deposit date:2022-04-27
Release date:2023-07-05
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural insights into the DNA recognition mechanism by the bacterial transcription factor PdxR.
Nucleic Acids Res., 51, 2023
6SEF
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BU of 6sef by Molmil
Class2C : CENP-A nucleosome in complex with CENP-C central region
Descriptor: Centromere protein C, DNA (145-MER), Histone H2A type 2-A, ...
Authors:Ali-Ahmad, A, Bilokapic, S, Schafer, I.B, Halic, M, Sekulic, N.
Deposit date:2019-07-29
Release date:2019-08-14
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:CENP-C unwraps the human CENP-A nucleosome through the H2A C-terminal tail.
Embo Rep., 20, 2019
3MJA
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BU of 3mja by Molmil
Cricket Paralysis Virus IGR IRES Domain 3 RNA bound to selenate, structure #2
Descriptor: Domain 3 of the cricket paralysis virus intergenic region IRES RNA, RNA (5'-R(P*UP*AP*AP*GP*AP*AP*AP*UP*UP*UP*AP*CP*CP*U)-3'), SELENATE ION
Authors:Kieft, J.S, Golden, B.L, Costantino, D.A, Chase, E.
Deposit date:2010-04-12
Release date:2010-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification and characterization of anion binding sites in RNA.
Rna, 16, 2010
8IL5
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BU of 8il5 by Molmil
Crystal structure of alcohol oxidase PcAOX(M59V/Q60P/R61N)(Phanerochaete chrysosporium)
Descriptor: Alcohol oxidase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Wu, B, Wang, Y.
Deposit date:2023-03-01
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.50006032 Å)
Cite:Crystal structure of alcohol oxidase PcAOX(M59V/Q60P/R61N)(Phanerochaete chrysosporium)
To Be Published

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