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PDB: 40926 results

8FQO
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ADC-33 in complex with boronic acid transition state inhibitor MB076
Descriptor: 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Powers, R.A, Wallar, B.J, June, C.M, Fish, E.R.
Deposit date:2023-01-06
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
8FQN
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apo ADC-33 beta-lactamase
Descriptor: Beta-lactamase, GLYCINE, PHOSPHATE ION
Authors:Powers, R.A, Wallar, B.J, June, C.M, Fish, E.R.
Deposit date:2023-01-06
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.256 Å)
Cite:Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
8FS8
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Structure of S. cerevisiae Rad24-RFC loading the 9-1-1 clamp onto a 5-nt gapped DNA (9-1-1 encircling fully bound DNA)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, DDC1 isoform 1, ...
Authors:Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H.
Deposit date:2023-01-09
Release date:2023-06-14
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Structures of 9-1-1 DNA checkpoint clamp loading at gaps from start to finish and ramification to biology.
Biorxiv, 2023
8FS7
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Structure of S. cerevisiae Rad24-RFC loading the 9-1-1 clamp onto a 10-nt gapped DNA in step 5 (closed 9-1-1 and stably bound chamber DNA)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, DDC1 isoform 1, ...
Authors:Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H.
Deposit date:2023-01-09
Release date:2023-06-14
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Structures of 9-1-1 DNA checkpoint clamp loading at gaps from start to finish and ramification to biology.
Biorxiv, 2023
8FS6
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Structure of S. cerevisiae Rad24-RFC loading the 9-1-1 clamp onto a 10-nt gapped DNA in step 4 (partially closed 9-1-1 and stably bound chamber DNA)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, DDC1 isoform 1, ...
Authors:Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H.
Deposit date:2023-01-09
Release date:2023-06-14
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structures of 9-1-1 DNA checkpoint clamp loading at gaps from start to finish and ramification to biology.
Biorxiv, 2023
3ICQ
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BU of 3icq by Molmil
Karyopherin nuclear state
Descriptor: Exportin-T, GTP-binding nuclear protein GSP1/CNR1, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Cook, A.G, Fukuhara, N, Jinek, M, Conti, E.
Deposit date:2009-07-18
Release date:2009-08-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structures of the tRNA export factor in the nuclear and cytosolic states
Nature, 461, 2009
7QD1
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BU of 7qd1 by Molmil
Structure of the orange carotenoid protein from Planktothrix agardhii binding echinenone in the P21 space group
Descriptor: Orange carotenoid-binding protein, beta,beta-caroten-4-one
Authors:Andreeva, E.A, Hartmann, E, Schlichting, I, Colletier, J.-P.
Deposit date:2021-11-26
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structure-function-dynamics relationships in the peculiar Planktothrix PCC7805 OCP1: Impact of his-tagging and carotenoid type.
Biochim Biophys Acta Bioenerg, 1863, 2022
7QD0
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Structure of the orange carotenoid protein from Planktothrix agardhii binding echinenone in the C2 space group
Descriptor: ACETATE ION, ARGININE, GLYCEROL, ...
Authors:Andreeva, E.A, Hartmann, E, Schlichting, I, Colletier, J.-P.
Deposit date:2021-11-25
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-function-dynamics relationships in the peculiar Planktothrix PCC7805 OCP1: Impact of his-tagging and carotenoid type.
Biochim Biophys Acta Bioenerg, 1863, 2022
7QD2
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Structure of the orange carotenoid protein from Planktothrix agardhii binding canthaxanthin in the P21 space group
Descriptor: ACETATE ION, GLYCEROL, Orange carotenoid-binding protein, ...
Authors:Andreeva, E.A, Hartmann, E, Schlichting, I, Colletier, J.-P.
Deposit date:2021-11-26
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-function-dynamics relationships in the peculiar Planktothrix PCC7805 OCP1: Impact of his-tagging and carotenoid type.
Biochim Biophys Acta Bioenerg, 1863, 2022
8FZA
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Class I type III preQ1 riboswitch from E. coli
Descriptor: 7-DEAZA-7-AMINOMETHYL-GUANINE, MANGANESE (II) ION, PreQ1 Riboswitch (30-MER)
Authors:Wedekind, J.E, Schroeder, G.M, Jenkins, J.L.
Deposit date:2023-01-27
Release date:2023-08-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and function analysis of a type III preQ 1 -I riboswitch from Escherichia coli reveals direct metabolite sensing by the Shine-Dalgarno sequence.
J.Biol.Chem., 299, 2023
8FYM
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Crystal structure of Fab235 in complex with MPER peptide
Descriptor: ALA-SER-LEU-TRP-ASN-TRP-PHE-ASN-ILE-THR-ASN-TRP-LEU-TRP-TYR-ILE-LYS-LYS-LYS, CHLORIDE ION, Fab235, ...
Authors:Tan, K, Kim, M, Reinherz, E.L.
Deposit date:2023-01-26
Release date:2023-10-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Inadequate structural constraint on Fab approach rather than paratope elicitation limits HIV-1 MPER vaccine utility.
Nat Commun, 14, 2023
6P1D
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BU of 6p1d by Molmil
Crystal structure of EGFR with mutant-selective dihydrodibenzodiazepinone allosteric inhibitor
Descriptor: 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, Epidermal growth factor receptor, MAGNESIUM ION, ...
Authors:Heppner, D.E, Eck, M.J.
Deposit date:2019-05-19
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6P95
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BU of 6p95 by Molmil
Structure of Lassa virus glycoprotein in complex with Fab 25.6A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Saphire, E.O, Hastie, K.M.
Deposit date:2019-06-09
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Convergent Structures Illuminate Features for Germline Antibody Binding and Pan-Lassa Virus Neutralization.
Cell, 178, 2019
8FAN
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BU of 8fan by Molmil
Crystal structure of Ky15.1 Fab in complex with circumsporozoite protein KQPA peptide
Descriptor: Circumsporozoite protein KQPA peptide, Ky15.1 Antibody, heavy chain, ...
Authors:Burn Aschner, C, Thai, E, Julien, J.P.
Deposit date:2022-11-28
Release date:2023-11-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein.
Cell Rep, 42, 2023
8F9V
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BU of 8f9v by Molmil
Crystal structure of Ky15.8 Fab in complex with circumsporozoite protein KQPA peptide
Descriptor: 1,2-ETHANEDIOL, Circumsporozoite protein KQPA peptide, Ky15.8 Antibody, ...
Authors:Thai, E, Prieto, K, Julien, J.P.
Deposit date:2022-11-24
Release date:2023-11-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein.
Cell Rep, 42, 2023
8UEE
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BU of 8uee by Molmil
Atomic structure of Salmonella SipA/F-actin complex by cryo-EM
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Niedzialkowska, E, Runyan, L, Kudryashova, E, Kudryashov, D.S, Egelman, E.H.
Deposit date:2023-10-01
Release date:2023-12-27
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Stabilization of F-actin by Salmonella effector SipA resembles the structural effects of inorganic phosphate and phalloidin.
Structure, 32, 2024
4Y5Q
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Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, CALCIUM ION, Calmodulin-domain protein kinase 1, ...
Authors:Merritt, E.A, Larson, E.T, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2015-02-11
Release date:2015-02-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with AMP
To Be Published
8F9W
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BU of 8f9w by Molmil
Crystal structure of Ky15.8 Fab in complex with circumsporozoite protein NPDP peptide
Descriptor: 1,2-ETHANEDIOL, Circumsporozoite protein NPDP peptide, Ky15.8 Antibody, ...
Authors:Thai, E, Prieto, K, Julien, J.P.
Deposit date:2022-11-24
Release date:2023-11-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein.
Cell Rep, 42, 2023
6Z3P
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BU of 6z3p by Molmil
Structure of EV71 in complex with a protective antibody 38-3-11A Fab
Descriptor: SPHINGOSINE, VP1, VP2, ...
Authors:Zhou, D, Fry, E.E, Ren, J, Stuart, D.I.
Deposit date:2020-05-21
Release date:2020-09-02
Last modified:2020-10-28
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural and functional analysis of protective antibodies targeting the threefold plateau of enterovirus 71.
Nat Commun, 11, 2020
8FF3
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BU of 8ff3 by Molmil
Amyloid-beta (1-40) fibrils derived from familial Dutch-type CAA patient (population B)
Descriptor: Amyloid-beta precursor protein
Authors:Crooks, E.J, Fu, Z, Chowdury, S, Smith, S.O.
Deposit date:2022-12-07
Release date:2023-12-06
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:An electrostatic cluster guides A beta 40 fibril formation in sporadic and Dutch-type cerebral amyloid angiopathy.
J.Struct.Biol., 216, 2024
6MXT
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BU of 6mxt by Molmil
Crystal structure of human beta2 adrenergic receptor bound to salmeterol and Nb71
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Endolysin, ...
Authors:Masureel, M, Zou, Y, Picard, L.P, van der Westhuizen, E, Mahoney, J.P, Rodrigues, J.P.G.L.M, Mildorf, T.J, Dror, R.O, Shaw, D.E, Bouvier, M, Pardon, E, Steyaert, J, Sunahara, R.K, Weis, W.I, Zhang, C, Kobilka, B.K.
Deposit date:2018-10-31
Release date:2018-11-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95934224 Å)
Cite:Structural insights into binding specificity, efficacy and bias of a beta2AR partial agonist.
Nat. Chem. Biol., 14, 2018
7QTV
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BU of 7qtv by Molmil
Beryllium fluoride form of the Na+,K+-ATPase (E2-BeFx)
Descriptor: 1-O-decanoyl-beta-D-tagatofuranosyl beta-D-allopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Fruergaard, M.U, Dach, I, Andersen, J.L, Ozol, M, Shahsavar, A, Quistgaard, E.M, Poulsen, H, Fedosova, N.U, Nissen, P.
Deposit date:2022-01-16
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (4.05 Å)
Cite:The Na + ,K + -ATPase in complex with beryllium fluoride mimics an ATPase phosphorylated state.
J.Biol.Chem., 298, 2022
6Z3Q
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BU of 6z3q by Molmil
Structure of EV71 in complex with a protective antibody 38-1-10A Fab
Descriptor: Heavy chain, Light chain, SPHINGOSINE, ...
Authors:Zhou, D, Fry, E.E, Ren, J, Stuart, D.I.
Deposit date:2020-05-21
Release date:2020-09-02
Last modified:2020-10-28
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural and functional analysis of protective antibodies targeting the threefold plateau of enterovirus 71.
Nat Commun, 11, 2020
4YSJ
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BU of 4ysj by Molmil
Calcium-Dependent Protein Kinase from Eimeria tenella in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Calmodulin-like domain protein kinase, ...
Authors:Merritt, E.A.
Deposit date:2015-03-17
Release date:2016-04-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:CDPK is a druggable target in the apicomplexan parasite Eimeria
to be published
8FQC
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Structure of baseplate with receptor binding complex of Agrobacterium phage Milano
Descriptor: Baseplate Centerpiece, gp25, Baseplate Central Spike, ...
Authors:Sonani, R.R, Leiman, P.G, Wang, F, Kreutzberger, M.A.B, Sebastian, A, Esteves, N.C, Kelly, R.J, Scharf, B, Egelman, E.H.
Deposit date:2023-01-05
Release date:2024-01-31
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:An extensive disulfide bond network prevents tail contraction in Agrobacterium tumefaciens phage Milano.
Nat Commun, 15, 2024

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PDB entries from 2024-09-04

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