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6UCT
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BU of 6uct by Molmil
Crystal structure of Mal de Rio Cuarto virus P9-1 viroplasm protein (C-arm deletion mutant)
Descriptor: p9-1
Authors:Llauger, G, Klinke, S, Monti, D, Sycz, G, Cerutti, M.L, Goldbaum, F.A, del Vas, M, Otero, L.H.
Deposit date:2019-09-17
Release date:2021-03-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.47 Å)
Cite:Crystal structure of Mal de Rio Cuarto virus P9-1 viroplasm protein (C-arm deletion mutant)
To Be Published
8DQT
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BU of 8dqt by Molmil
Human PDK1 kinase domain in complex with Valsartan
Descriptor: (2~{S})-3-methyl-2-[pentanoyl-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL
Authors:Gross, L.Z.F, Klinke, S, Biondi, R.M.
Deposit date:2022-07-19
Release date:2023-06-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Modulation of the substrate specificity of the kinase PDK1 by distinct conformations of the full-length protein.
Sci.Signal., 16, 2023
8EK9
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BU of 8ek9 by Molmil
Crystal structure of the class A carbapenemase CRH-1 in complex with avibactam at 1.4 Angstrom resolution
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:Power, P, Brunetti, F, Ghiglione, B, Guardabassi, L, Gutkind, G, Klinke, S.
Deposit date:2022-09-20
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Biochemical and Structural Characterization of CRH-1, a Carbapenemase from Chromobacterium haemolyticum Related to KPC beta-Lactamases.
Antimicrob.Agents Chemother., 67, 2023
8EHU
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BU of 8ehu by Molmil
Crystal structure of the environmental CRH-1 class A carbapenemase at 1.1 Angstrom resolution
Descriptor: Beta-lactamase
Authors:Power, P, Brunetti, F, Ghiglione, B, Guardabassi, L, Gutkind, G, Klinke, S.
Deposit date:2022-09-14
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Biochemical and Structural Characterization of CRH-1, a Carbapenemase from Chromobacterium haemolyticum Related to KPC beta-Lactamases.
Antimicrob.Agents Chemother., 67, 2023
8EO5
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BU of 8eo5 by Molmil
Crystal structure of the class A beta-lactamase precursor LRA-5 from an Alaskan soil metagenome at 1.8 Angstrom resolution
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LRA-5
Authors:Power, P, D'Amico Gonzalez, G, Centron, D, Gutkind, G, Handelsman, J, Klinke, S.
Deposit date:2022-10-02
Release date:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Playing beta-Lactamase Evolution: Metagenomic Class A beta-Lactamase LRA-5 is an Inactive Enzyme Capable of Rendering an Active beta-Lactamase by Introduction of Y69Q and V166E Substitutions
to be published
8EHH
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BU of 8ehh by Molmil
Crystal structure of the class A extended-spectrum beta-lactamase CTX-M-96 in complex with relebactam at 1.03 Angstrom resolution
Descriptor: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:Power, P, Ghiglione, B, Bonomo, R.A, Rodriguez, M.M, Gutkind, G, Klinke, S.
Deposit date:2022-09-14
Release date:2023-09-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Biochemical and structural evidences of the activity of relebactam as inhibitor of the extended-spectrum beta-lactamase CTX-M-96.
To be published
8EO7
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BU of 8eo7 by Molmil
Crystal structure of metagenomic beta-lactamase LRA-5 Y69Q/V166E mutant at 2.15 Angstrom resolution
Descriptor: beta-lactamase
Authors:Power, P, D'Amico Gonzalez, G, Centron, D, Gutkind, G, Handelsman, J, Klinke, S.
Deposit date:2022-10-02
Release date:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Playing beta-Lactamase Evolution: Metagenomic Class A beta-Lactamase LRA-5 is an Inactive Enzyme Capable of Rendering an Active beta-Lactamase by Introduction of Y69Q and V166E Substitutions
to be published
8EO6
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BU of 8eo6 by Molmil
Crystal structure of metagenomic class A beta-lactamase precursor LRA-5 in complex with ceftazidime at 2.35 Angstrom resolution
Descriptor: ACYLATED CEFTAZIDIME, LRA-5
Authors:Power, P, D'Amico Gonzalez, G, Centron, D, Gutkind, G, Handelsman, J, Klinke, S.
Deposit date:2022-10-02
Release date:2023-10-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Playing beta-Lactamase Evolution: Metagenomic Class A beta-Lactamase LRA-5 is an Inactive Enzyme Capable of Rendering an Active beta-Lactamase by Introduction of Y69Q and V166E Substitutions
to be published
6BNN
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BU of 6bnn by Molmil
Crystal structure of V278E-glyoxalase I mutant from Zea mays in space group P4(1)2(1)2
Descriptor: COBALT (II) ION, FORMIC ACID, GLUTATHIONE, ...
Authors:Alvarez, C.E, Agostini, R.B, Gonzalez, J.M, Drincovich, M.F, Campos Bermudez, V.A, Klinke, S.
Deposit date:2017-11-17
Release date:2018-11-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Deciphering the number and location of active sites in the monomeric glyoxalase I of Zea mays.
Febs J., 286, 2019
6BN3
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BU of 6bn3 by Molmil
CTX-M-151 class A extended-spectrum beta-lactamase apo crystal structure at 1.3 Angstrom resolution
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase
Authors:Power, P, Ghiglione, B, Rodriguez, M.M, Gutkind, G, Ishii, Y, Bonomo, R.A, Klinke, S.
Deposit date:2017-11-16
Release date:2018-11-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.278 Å)
Cite:Structural and Biochemical Characterization of the Novel CTX-M-151 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam.
Antimicrob.Agents Chemother., 65, 2021
6BPF
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BU of 6bpf by Molmil
CTX-M-151 class A extended-spectrum beta-lactamase crystal structure in complex with avibactam at 1.32 Angstrom resolution
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:Power, P, Ghiglione, B, Rodriguez, M.M, Gutkind, G, Ishii, Y, Bonomo, R.A, Klinke, S.
Deposit date:2017-11-23
Release date:2018-11-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.318 Å)
Cite:Structural and Biochemical Characterization of the Novel CTX-M-151 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam.
Antimicrob.Agents Chemother., 65, 2021
6C6I
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BU of 6c6i by Molmil
Crystal structure of a chimeric NDM-1 metallo-beta-lactamase harboring the IMP-1 L3 loop
Descriptor: Metallo-beta-lactamase type 2 chimera, ZINC ION
Authors:Otero, L, Giannini, E, Klinke, S, Palacios, A, Mojica, M, Bonomo, R, Llarrull, L, Vila, A.
Deposit date:2018-01-18
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The Reaction Mechanism of Metallo-beta-Lactamases Is Tuned by the Conformation of an Active-Site Mobile Loop.
Antimicrob. Agents Chemother., 63, 2019
6BNZ
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BU of 6bnz by Molmil
Crystal structure of E144Q-glyoxalase I mutant from Zea mays in space group P4(1)2(1)2
Descriptor: COBALT (II) ION, FORMIC ACID, GLUTATHIONE, ...
Authors:Alvarez, C.E, Agostini, R.B, Gonzalez, J.M, Drincovich, M.F, Campos Bermudez, V.A, Klinke, S.
Deposit date:2017-11-17
Release date:2018-11-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Deciphering the number and location of active sites in the monomeric glyoxalase I of Zea mays.
Febs J., 286, 2019
6BNX
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BU of 6bnx by Molmil
Crystal structure of V278E-glyoxalase I mutant from Zea mays in space group P6(3)
Descriptor: COBALT (II) ION, Lactoylglutathione lyase
Authors:Alvarez, C.E, Agostini, R.B, Gonzalez, J.M, Drincovich, M.F, Campos Bermudez, V.A, Klinke, S.
Deposit date:2017-11-17
Release date:2018-11-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Deciphering the number and location of active sites in the monomeric glyoxalase I of Zea mays.
Febs J., 286, 2019
3N4W
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BU of 3n4w by Molmil
Crystal structure of an abridged SER to ALA mutant of the mature ectodomain of the human receptor-type protein-tyrosine phosphatase ICA512/IA-2 at pH 7.5
Descriptor: CALCIUM ION, Receptor-type tyrosine-protein phosphatase-like N
Authors:Primo, M.E, Jakoncic, J, Poskus, E, Ermacora, M.R.
Deposit date:2010-05-23
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of the mature ectodomain of the human receptor-type protein-tyrosine phosphatase IA-2.
J.Biol.Chem., 283, 2008
3NG8
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BU of 3ng8 by Molmil
Crystal structure of an abridged SER TO ALA MUTANT OF THE MATURE ECTODOMAIN of the human receptor-type protein-tyrosine phosphatase ICA512/IA-2 at PH 8.5
Descriptor: CALCIUM ION, Receptor-type tyrosine-protein phosphatase-like N
Authors:Primo, M.E, Jakoncic, J, Poskus, E, Ermacora, M.R.
Deposit date:2010-06-11
Release date:2010-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure of the mature ectodomain of the human receptor-type protein-tyrosine phosphatase IA-2.
J.Biol.Chem., 283, 2008
4D50
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BU of 4d50 by Molmil
Structure of human deoxyhypusine hydroxylase
Descriptor: DEOXYHYPUSINE HYDROXYLASE, FE (III) ION, GUANIDINE, ...
Authors:Han, Z, Sakai, N, Hilgenfeld, R.
Deposit date:2014-10-31
Release date:2015-04-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of the Peroxo-Diiron(III) Intermediate of Deoxyhypusine Hydroxylase, an Oxygenase Involved in Hypusination.
Structure, 23, 2015
4D4Z
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BU of 4d4z by Molmil
STRUCTURE OF HUMAN DEOXYHYPUSINE HYDROXYLASE in complex with glycerol
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DEOXYHYPUSINE HYDROXYLASE, FE (III) ION, ...
Authors:Han, Z, Sakai, N, Hilgenfeld, R.
Deposit date:2014-10-31
Release date:2015-04-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of the Peroxo-Diiron(III) Intermediate of Deoxyhypusine Hydroxylase, an Oxygenase Involved in Hypusination.
Structure, 23, 2015
3NP5
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BU of 3np5 by Molmil
Crystal structure of an abridged form of the mature ectodomain of the human receptor-type protein tyrosine phosphatase ICA512/IA-2 AT pH 4.5
Descriptor: CALCIUM ION, Receptor-type tyrosine-protein phosphatase-like N
Authors:Primo, M.E, Jakoncic, J, Poskus, E, Ermacora, M.R.
Deposit date:2010-06-27
Release date:2010-12-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Receptor-Type Protein-Tyrosine Phosphatase Ia-2-Ica512
To be Published
2MPB
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BU of 2mpb by Molmil
NMR structure of BA42 protein from the psychrophilic bacteria Bizionia argentinensis sp. nov
Descriptor: BA42
Authors:Cicero, D, Aran, M, Smal, C, Pellizza, L, Gallo, M.
Deposit date:2014-05-14
Release date:2014-08-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution and crystal structure of BA42, a protein from the Antarctic bacterium Bizionia argentinensis comprised of a stand-alone TPM domain.
Proteins, 82, 2014
7R63
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BU of 7r63 by Molmil
Nb82, a nanobody against voltage gated sodium channels Nav1.4 and Nav1.5
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, CHLORIDE ION, Nanobody Nb82, ...
Authors:Srinivasan, L, Gabelli, S.B.
Deposit date:2021-06-22
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of high-affinity nanobodies specific for Na V 1.4 and Na V 1.5 voltage-gated sodium channel isoforms.
J.Biol.Chem., 298, 2022
8STL
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BU of 8stl by Molmil
Crystal Structure of Nanobody PIK3_Nb16 against wild-type PI3Kalpha
Descriptor: Nanobody PIK3_Nb16, SULFATE ION
Authors:Nwafor, J.N, Srinivasan, L, Chen, Z, Gabelli, S.B, Iheanacho, A, Alzogaray, V, Klinke, S.
Deposit date:2023-05-10
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Development of isoform specific nanobodies for Class I PI3Ks
To be published
6CAC
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BU of 6cac by Molmil
Crystal structure of NDM-1 metallo-beta-lactamase harboring an insertion of a Pro residue in L3 loop
Descriptor: CADMIUM ION, CALCIUM ION, COBALT (II) ION, ...
Authors:Alzari, P.M, Giannini, E, Palacios, A, Mojica, M, Bonomo, R, Llarrull, L, Vila, A.
Deposit date:2018-01-30
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:The Reaction Mechanism of Metallo-beta-Lactamases Is Tuned by the Conformation of an Active-Site Mobile Loop.
Antimicrob. Agents Chemother., 63, 2019
3N01
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BU of 3n01 by Molmil
Crystal structure of an abridged form of the mature ectodomain of the Human Receptor-Type Protein Tyrosine Phosphatase ICA512/IA-2 at pH 8.5
Descriptor: CALCIUM ION, Receptor-type tyrosine-protein phosphatase-like N
Authors:Primo, M.E, Jakoncic, J, Poskus, E, Ermacora, M.R.
Deposit date:2010-05-13
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Receptor-type Protein-Tyrosine Phosphatase IA-2-ICA512
To be Published
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