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6Z3C
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BU of 6z3c by Molmil
High resolution structure of RgNanOx
Descriptor: CITRATE ANION, Gfo/Idh/MocA family oxidoreductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Naismith, J.H, Lee, M.O.
Deposit date:2020-05-19
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Uncovering a novel molecular mechanism for scavenging sialic acids in bacteria.
J.Biol.Chem., 295, 2020
6Z3I
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BU of 6z3i by Molmil
Structure of recombinant beta-glucocerebrosidase in complex with bifunctional cyclophellitol aziridine activity based probe
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosomal acid glucosylceramidase, ...
Authors:Rowland, R.J, Davies, G.J.
Deposit date:2020-05-20
Release date:2021-06-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design, Synthesis and Structural Analysis of Glucocerebrosidase Imaging Agents.
Chemistry, 27, 2021
6Z3M
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BU of 6z3m by Molmil
Repulsive Guidance Molecule B (RGMB) in complex with Growth Differentiation Factor 5 (GDF5) and Neogenin 1 (NEO1).
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Growth/differentiation factor 5, Neogenin, ...
Authors:Malinauskas, T, Peer, T.V, Bishop, B, Muller, T.D, Siebold, C.
Deposit date:2020-05-21
Release date:2020-07-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (5.501 Å)
Cite:Repulsive guidance molecules lock growth differentiation factor 5 in an inhibitory complex.
Proc.Natl.Acad.Sci.USA, 117, 2020
6Z3N
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BU of 6z3n by Molmil
Apo Structure of a Hydrolase from Pseudomonas aeruginosa PAO1
Descriptor: ACETATE ION, GLYCEROL, Hydrolase, ...
Authors:Jin, Y, Rizkallah, P, Bell, H.
Deposit date:2020-05-21
Release date:2021-06-09
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Apo Structure of a Small Alarmone Hydrolase from Pseudomonas aeruginosa PAO1
To Be Published
6Z3O
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BU of 6z3o by Molmil
The E74Q mutant of Small Alarmone Hydrolase SAH from Pseudomonas aeruginosa PAO1
Descriptor: MANGANESE (II) ION, Small Alarmone Hydrolase
Authors:Jin, Y, Rizkallah, P, Bell, H.
Deposit date:2020-05-21
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Apo Structure of a Small Alarmone Hydrolase from Pseudomonas aeruginosa PAO1
To Be Published
6Z3V
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BU of 6z3v by Molmil
A4V mutant of human SOD1 bound with N-aryl benzoisoselenazolone derivative 13 in P21 space group
Descriptor: 5-fluoranyl-~{N}-(3-morpholin-4-ylcarbonylphenyl)-2-selanyl-benzamide, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-22
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4G
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BU of 6z4g by Molmil
A4V mutant of human SOD1 bound with ebselen in P21 space group
Descriptor: ACETATE ION, CHLORIDE ION, N-phenyl-2-selanylbenzamide, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4H
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BU of 6z4h by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 2 in P21 space group
Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4I
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BU of 6z4i by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 3 in P21 space group
Descriptor: ACETATE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4J
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BU of 6z4j by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 5 in P21 space group
Descriptor: CHLORIDE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4K
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BU of 6z4k by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 6 in P21 space group
Descriptor: CHLORIDE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4L
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BU of 6z4l by Molmil
A4V mutant of human SOD1 bound with 2-(pyridin-3-ylmethyl)benzoisoselenazolone derivative 9 in P21 space group
Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4M
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BU of 6z4m by Molmil
A4V mutant of human SOD1 bound with 2-(pyridin-3-ylmethyl)benzoisoselenazolone derivative 10 in P21 space group
Descriptor: CHLORIDE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4N
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BU of 6z4n by Molmil
CRYSTAL STRUCTURE OF OASS COMPLEXED WITH UPAR INHIBITOR
Descriptor: (1~{S},2~{S})-1-[(4-methylphenyl)methyl]-2-phenyl-cyclopropane-1-carboxylic acid, COBALT (II) ION, Cysteine synthase A, ...
Authors:Demitri, N, Storici, P, Campanini, B.
Deposit date:2020-05-25
Release date:2021-04-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Investigational Studies on a Hit Compound Cyclopropane-Carboxylic Acid Derivative Targeting O -Acetylserine Sulfhydrylase as a Colistin Adjuvant.
Acs Infect Dis., 7, 2021
6Z4O
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BU of 6z4o by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 1 in P21 space group
Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4Q
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BU of 6z4q by Molmil
Crystal structure of the neurotensin receptor 1 in complex with the small-molecule inverse agonist SR142948A
Descriptor: 2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methyl-carbamoyl]-2-propan-2-yl-phenyl]pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid, Neurotensin receptor type 1,Neurotensin receptor type 1,DARPin
Authors:Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A.
Deposit date:2020-05-25
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.923 Å)
Cite:Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism.
Sci Adv, 7, 2021
6Z4S
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BU of 6z4s by Molmil
Crystal structure of the neurotensin receptor 1 (NTSR1-H4bmx) in complex with the small molecule inverse agonist SR48692
Descriptor: 2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid, Neurotensin receptor type 1,DARPin,HRV 3C protease recognition sequence
Authors:Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A.
Deposit date:2020-05-25
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.707 Å)
Cite:Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism.
Sci Adv, 7, 2021
6Z4V
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BU of 6z4v by Molmil
Crystal structure of the neurotensin receptor 1 (NTSR1-H4bmx) in complex with NTS8-13
Descriptor: ARG-PRO-TYR-ILE-LEU, Neurotensin receptor type 1,Neurotensin receptor type 1,DARPin
Authors:Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A.
Deposit date:2020-05-25
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.595 Å)
Cite:Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism.
Sci Adv, 7, 2021
6Z5F
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BU of 6z5f by Molmil
CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE-1 (RPMFE1) COMPLEXED WITH 3-KETODECANOYL-COA AND OXIDISED NICOTINAMIDE ADENINE DINUCLEOTIDE
Descriptor: 3-KETO-DECANOYL-COA, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Wierenga, R.K, Sridhar, S, Kiema, T.R.
Deposit date:2020-05-26
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystallographic binding studies of rat peroxisomal multifunctional enzyme type 1 with 3-ketodecanoyl-CoA: capturing active and inactive states of its hydratase and dehydrogenase catalytic sites.
Acta Crystallogr D Struct Biol, 76, 2020
6Z5H
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BU of 6z5h by Molmil
Crystal structure of Aeromonas exotoxin A
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Exotoxin, ...
Authors:Masuyer, G.
Deposit date:2020-05-26
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Exotoxin A from Aeromonas Pathogenic Species.
Toxins, 12, 2020
6Z5K
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BU of 6z5k by Molmil
PqsR (MvfR) in complex with antagonist 18
Descriptor: 6-chloranyl-3-[(2-pentyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one, Transcriptional regulator MvfR
Authors:Richardson, W.K, Emsley, J.
Deposit date:2020-05-26
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.201 Å)
Cite:Novel quinazolinone inhibitors of the Pseudomonas aeruginosa quorum sensing transcriptional regulator PqsR.
Eur.J.Med.Chem., 208, 2020
6Z5O
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BU of 6z5o by Molmil
CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE-1 (RPMFE1) COMPLEXED WITH COENZYME-A AND OXIDISED NICOTINAMIDE ADENINE DINUCLEOTIDE
Descriptor: COENZYME A, GLYCEROL, NICOTINAMIDE, ...
Authors:Wierenga, R.K, Sridhar, S, Kiema, T.R.
Deposit date:2020-05-27
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystallographic binding studies of rat peroxisomal multifunctional enzyme type 1 with 3-ketodecanoyl-CoA: capturing active and inactive states of its hydratase and dehydrogenase catalytic sites.
Acta Crystallogr D Struct Biol, 76, 2020
6Z5V
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BU of 6z5v by Molmil
CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE-1 (RPMFE1) COMPLEXED WITH 3-KETODECANOYL-COA IN CROTONASE FOLD AND OXIDISED NICOTINAMIDE ADENINE DINUCLEOTIDE IN HAD FOLD
Descriptor: 3-KETO-DECANOYL-COA, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Wierenga, R.K, Sridhar, S, Kiema, T.R.
Deposit date:2020-05-27
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystallographic binding studies of rat peroxisomal multifunctional enzyme type 1 with 3-ketodecanoyl-CoA: capturing active and inactive states of its hydratase and dehydrogenase catalytic sites.
Acta Crystallogr D Struct Biol, 76, 2020
6Z66
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BU of 6z66 by Molmil
Crystal structure of apo-state neurotensin receptor 1
Descriptor: Neurotensin receptor type 1,Neurotensin receptor type 1,DARPin
Authors:Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A.
Deposit date:2020-05-27
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.192 Å)
Cite:Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism.
Sci Adv, 7, 2021
6Z6B
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BU of 6z6b by Molmil
Structure of full-length La Crosse virus L protein (polymerase)
Descriptor: RNA (5'-R(*GP*CP*UP*AP*CP*UP*AP*A)-3'), RNA (5'-R(P*AP*GP*UP*AP*GP*UP*GP*UP*GP*C)-3'), RNA (5'-R(P*UP*UP*AP*GP*UP*AP*GP*UP*AP*CP*AP*CP*UP*AP*CP*U)-3'), ...
Authors:Cusack, S, Gerlach, P, Reguera, J.
Deposit date:2020-05-28
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.961 Å)
Cite:Pre-initiation and elongation structures of full-length La Crosse virus polymerase reveal functionally important conformational changes.
Nat Commun, 11, 2020

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