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8GMK
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BU of 8gmk by Molmil
Pyruvate bound structure of Citrate Synthase (CitA) in Mycobacterium Tuberculosis
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PYRUVIC ACID, ...
Authors:Pathirage, R, Ronning, D, Yamsek, M.
Deposit date:2023-03-26
Release date:2023-06-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8GMF
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BU of 8gmf by Molmil
R153M variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
Descriptor: citrate synthase
Authors:Pathirage, R, Ronning, D.
Deposit date:2023-03-25
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8GIW
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BU of 8giw by Molmil
C143K variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
Authors:Pathirage, R, Ronning, D.
Deposit date:2023-03-14
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
7KMK
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BU of 7kmk by Molmil
cryo-EM structure of SARS-CoV-2 spike in complex with Fab 15033-7, two RBDs bound
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 15033-7 heavy chain, ...
Authors:Li, Z, Rini, J.M.
Deposit date:2020-11-03
Release date:2021-02-10
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Tetravalent SARS-CoV-2 Neutralizing Antibodies Show Enhanced Potency and Resistance to Escape Mutations.
J.Mol.Biol., 433, 2021
7KLG
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BU of 7klg by Molmil
SARS-CoV-2 RBD in complex with Fab 15033
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 15033 heavy chain, Fab 15033 light chain, ...
Authors:Li, Z, Rini, J.M.
Deposit date:2020-10-30
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Tetravalent SARS-CoV-2 Neutralizing Antibodies Show Enhanced Potency and Resistance to Escape Mutations.
J.Mol.Biol., 433, 2021
7KML
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BU of 7kml by Molmil
cryo-EM structure of SARS-CoV-2 spike in complex with Fab 15033-7, three RBDs bound
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 15033-7 heavy chain, ...
Authors:Li, Z, Rini, J.M.
Deposit date:2020-11-03
Release date:2021-02-10
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Tetravalent SARS-CoV-2 Neutralizing Antibodies Show Enhanced Potency and Resistance to Escape Mutations.
J.Mol.Biol., 433, 2021
7KLH
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BU of 7klh by Molmil
SARS-CoV-2 RBD in complex with Fab 15033-7
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 15033-7 heavy chain, Fab 15033-7 light chain, ...
Authors:Li, Z, Rini, J.M.
Deposit date:2020-10-30
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Tetravalent SARS-CoV-2 Neutralizing Antibodies Show Enhanced Potency and Resistance to Escape Mutations.
J.Mol.Biol., 433, 2021
8IOI
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BU of 8ioi by Molmil
Crystal Structure of PadR- family transcriptional regulator Rv1176c from Mycobacterium tuberculosis H37Rv.
Descriptor: CHLORIDE ION, GLYCEROL, HEXAETHYLENE GLYCOL, ...
Authors:Yadav, V, Zohib, M, Pal, R.K, Biswal, B.K, Arora, A.
Deposit date:2023-03-11
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Structural and biophysical characterization of PadR family protein Rv1176c of Mycobacterium tuberculosis H37Rv.
Int.J.Biol.Macromol., 263, 2024
6EF4
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BU of 6ef4 by Molmil
Crystal structure of mouse PP2A Aalpha P179R mutant
Descriptor: Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform
Authors:Wang, Z, Shen, G, Xu, W.
Deposit date:2018-08-16
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The Highly Recurrent PP2A A alpha-Subunit Mutation P179R Alters Protein Structure and Impairs PP2A Enzyme Function to Promote Endometrial Tumorigenesis.
Cancer Res., 79, 2019
8S9D
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BU of 8s9d by Molmil
C143S variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, citrate synthase
Authors:Pathirage, R, Ronning, D.
Deposit date:2023-03-27
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8S97
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BU of 8s97 by Molmil
C143W variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, citrate synthase
Authors:Pathirage, R, Ronning, D.
Deposit date:2023-03-27
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
5JXM
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BU of 5jxm by Molmil
Crystal Structure of Prenyltransferase PriB Apo Form
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PriB
Authors:Cao, H, Elshahawi, S, Benach, J, Wasserman, S.R, Morisco, L.L, Koss, J.W, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2016-05-13
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structure and specificity of a permissive bacterial C-prenyltransferase.
Nat. Chem. Biol., 13, 2017
5K9M
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BU of 5k9m by Molmil
Crystal Structure of PriB Binary Complex with Product Diphosphate
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PYROPHOSPHATE 2-, PriB Prenyltransferase
Authors:Cao, H, Elshahawi, S, Benach, J, Wasserman, S.R, Morisco, L.L, Koss, J.W, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2016-06-01
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure and specificity of a permissive bacterial C-prenyltransferase.
Nat. Chem. Biol., 13, 2017
6WRP
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BU of 6wrp by Molmil
Crystal Structure of PI3-E12 Fab, An Antibody Against Human Parainfluenza Virus Type III
Descriptor: 1,2-ETHANEDIOL, AMMONIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Weidle, C, Pancera, M.
Deposit date:2020-04-29
Release date:2021-05-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Protective antibodies against human parainfluenza virus type 3 infection.
Mabs, 13, 2021
7UJ4
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BU of 7uj4 by Molmil
Inhibition of Human Menin by SNDX-5613
Descriptor: 2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide, Isoform 2 of Menin, MAGNESIUM ION
Authors:McKeever, B.M, Kulkarni, S, McGeehan, G.M.
Deposit date:2022-03-30
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:MEN1 mutations mediate clinical resistance to menin inhibition.
Nature, 615, 2023
5TVS
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BU of 5tvs by Molmil
JMJD2A in complex with Ni(II)
Descriptor: Lysine-specific demethylase 4A, NICKEL (II) ION, ZINC ION
Authors:Cascella, B, Lee, S.G, Jez, J.M.
Deposit date:2016-11-09
Release date:2017-02-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.745 Å)
Cite:The small molecule JIB-04 disrupts O2 binding in the Fe-dependent histone demethylase KDM4A/JMJD2A.
Chem. Commun. (Camb.), 53, 2017
5TVR
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BU of 5tvr by Molmil
JMJD2A in complex with Ni(II) and alpha-Ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, Lysine-specific demethylase 4A, NICKEL (II) ION, ...
Authors:Cascella, B, Lee, S.G, Jez, J.M.
Deposit date:2016-11-09
Release date:2017-02-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:The small molecule JIB-04 disrupts O2 binding in the Fe-dependent histone demethylase KDM4A/JMJD2A.
Chem. Commun. (Camb.), 53, 2017
6V6G
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BU of 6v6g by Molmil
Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase
Descriptor: Beta-lactamase, DI(HYDROXYETHYL)ETHER, SODIUM ION
Authors:Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
Deposit date:2019-12-05
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
6V6P
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BU of 6v6p by Molmil
Crystal structure of CTX-M-14 E166A/D240G beta-lactamase
Descriptor: Beta-lactamase, DI(HYDROXYETHYL)ETHER, SULFATE ION
Authors:Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
Deposit date:2019-12-05
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
6V5E
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BU of 6v5e by Molmil
Crystal structure of CTX-M-14 P167S/D240G beta-lactamase
Descriptor: Beta-lactamase
Authors:Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
Deposit date:2019-12-04
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
6V7T
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BU of 6v7t by Molmil
Crystal structure of CTX-M-14 E166A/D240G beta-lactamase in complex with ceftazidime
Descriptor: ACYLATED CEFTAZIDIME, Beta-lactamase
Authors:Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
Deposit date:2019-12-09
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
6V8V
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BU of 6v8v by Molmil
Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase in complex with ceftazidime-2
Descriptor: ACYLATED CEFTAZIDIME, Beta-lactamase
Authors:Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
Deposit date:2019-12-12
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
6V83
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BU of 6v83 by Molmil
Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase in complex with ceftazidime-1
Descriptor: ACYLATED CEFTAZIDIME, Beta-lactamase
Authors:Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
Deposit date:2019-12-10
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
8DZ8
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BU of 8dz8 by Molmil
Neoleukin 4, a de novo designed IL-4 mimetic
Descriptor: neoleukin-4
Authors:Jude, K.M, Spangler, J.B, Garcia, K.C.
Deposit date:2022-08-06
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.972 Å)
Cite:Design of cell-type-specific hyperstable IL-4 mimetics via modular de novo scaffolds.
Nat.Chem.Biol., 19, 2023
5KVH
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BU of 5kvh by Molmil
Crystal structure of human apoptosis-inducing factor with W196A mutation
Descriptor: Apoptosis-inducing factor 1, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Brosey, C.A, Nix, J, Ellenberger, T, Tainer, J.A.
Deposit date:2016-07-14
Release date:2016-11-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.273 Å)
Cite:Defining NADH-Driven Allostery Regulating Apoptosis-Inducing Factor.
Structure, 24, 2016

221716

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