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6Z4C
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BU of 6z4c by Molmil
The structure of the N-terminal domain of RssB from E. coli
Descriptor: Regulator of RpoS
Authors:Zeth, K, Dimce, M, Terrence, D.M, Schuenemann, V, Dougan, D.
Deposit date:2020-05-25
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insight into the RssB-Mediated Recognition and Delivery of sigma s to the AAA+ Protease, ClpXP.
Biomolecules, 10, 2020
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
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
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
6Z3Z
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BU of 6z3z by Molmil
CryoEM structure of horse sodium/proton exchanger NHE9 without C-terminal regulatory domain in an inward-facing conformation
Descriptor: Sodium/hydrogen exchanger
Authors:Winkelmann, I, Matsuoka, R, Meier, P, Drew, D.
Deposit date:2020-05-22
Release date:2020-11-04
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Structure and elevator mechanism of the mammalian sodium/proton exchanger NHE9.
Embo J., 39, 2020
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
8SM0
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BU of 8sm0 by Molmil
Crystal structure of human complement receptor 2 (CD21) in complex with Epstein-Barr virus major glycoprotein gp350
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement receptor type 2, Envelope glycoprotein gp350, ...
Authors:Chen, W.-H, Bu, W, Cohen, J.I, Kanekiyo, M, Joyce, M.G.
Deposit date:2023-04-25
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural Basis For Receptor Engagement And Virus Neutralization Through Epstein-Barr Virus Gp350
To Be Published
6Z6K
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BU of 6z6k by Molmil
Cryo-EM structure of yeast reconstituted Lso2 bound to 80S ribosomes
Descriptor: 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ...
Authors:Wells, J.N, Buschauer, R, Mackens-Kiani, T, Best, K, Kratzat, H, Berninghausen, O, Becker, T, Cheng, J, Beckmann, R.
Deposit date:2020-05-28
Release date:2020-07-29
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure and function of yeast Lso2 and human CCDC124 bound to hibernating ribosomes.
Plos Biol., 18, 2020
6ZHZ
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BU of 6zhz by Molmil
OleP-oleandolide(DEO) in high salt crystallization conditions
Descriptor: (3~{R},4~{S},5~{R},6~{S},7~{S},9~{S},11~{R},12~{S},13~{R},14~{R})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P-450, ...
Authors:Montemiglio, L.C, Savino, C, Vallone, B, Parisi, G, Cecchetti, C.
Deposit date:2020-06-24
Release date:2020-10-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Dissecting the Cytochrome P450 OleP Substrate Specificity: Evidence for a Preferential Substrate.
Biomolecules, 10, 2020
6ZI5
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BU of 6zi5 by Molmil
Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 300 ps (a) structure
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Baath, P, Dods, R, Braenden, G, Neutze, R.
Deposit date:2020-06-24
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021
6D7Q
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BU of 6d7q by Molmil
Crystal Structure of Rat TRPV6*-Y466A in complex with 2-Aminoethoxydiphenyl borate (2-APB)
Descriptor: 2-aminoethyl diphenylborinate, 6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)-HEXANOIC ACID, CALCIUM ION, ...
Authors:Singh, A.K, Saotome, K, McGoldrick, L.L, Sobolevsky, A.I.
Deposit date:2018-04-25
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.497 Å)
Cite:Structural bases of TRP channel TRPV6 allosteric modulation by 2-APB.
Nat Commun, 9, 2018
6ZIH
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BU of 6zih by Molmil
Topological model of p2 virion baseplate in activated conformation
Descriptor: Baseplate protein gp16, Distal tail protein, Receptor binding protein
Authors:Spinelli, S, Cambillau, C, Goulet, A.
Deposit date:2020-06-26
Release date:2020-08-26
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (28.700001 Å)
Cite:Structural Insights into Lactococcal Siphophage p2 Baseplate Activation Mechanism.
Viruses, 12, 2020
6D7X
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BU of 6d7x by Molmil
Crystal Structure of Rat TRPV6*-Y466A- in complex with brominated 2-Aminoethoxydiphenyl borate (2-APB-Br)
Descriptor: 2-aminoethyl (4-bromophenyl)phenylborinate, 6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)-HEXANOIC ACID, CALCIUM ION, ...
Authors:Singh, A.K, Saotome, K, McGoldrick, L.L, Sobolevsky, A.I.
Deposit date:2018-04-25
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural bases of TRP channel TRPV6 allosteric modulation by 2-APB.
Nat Commun, 9, 2018
8RKQ
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BU of 8rkq by Molmil
Structure of human DELTA-1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE (ALDH4A1) complexed with the molecular tweezer CLR01
Descriptor: (1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene, Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial
Authors:Porfetye, A.T, Vetter, I.R.
Deposit date:2023-12-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:How Do Molecular Tweezers Bind to Proteins? Lessons from X-ray Crystallography.
Molecules, 29, 2024
6ZL3
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BU of 6zl3 by Molmil
CRYSTAL STRUCTURE OF HRAS IN COMPLEX WITH COMPOUND 18 and GDP
Descriptor: (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Kessler, D, Fischer, G, Boettcher, J.
Deposit date:2020-06-30
Release date:2020-08-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.031 Å)
Cite:Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
6ZB2
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BU of 6zb2 by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH GSK549
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 2, DI(HYDROXYETHYL)ETHER, ...
Authors:Chung, C.
Deposit date:2020-06-06
Release date:2020-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.282 Å)
Cite:The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor.
J.Med.Chem., 63, 2020
8R8L
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BU of 8r8l by Molmil
The structure of inactivated mature tick-borne encephalitis virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Peptide 2k
Authors:Pichkur, E.B, Samygina, V.R.
Deposit date:2023-11-29
Release date:2024-05-22
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:The structure of inactivated mature tick-borne encephalitis virus at 3.0 angstrom resolution.
Emerg Microbes Infect, 13, 2024
6ZB6
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BU of 6zb6 by Molmil
Crystal structure of Lolium rigidum GSTF in complex with S-(p-nitrobenzyl) glutathione
Descriptor: GLUTATHIONE, GLYCEROL, Glutathione transferase, ...
Authors:Papageorgiou, A.C, Poudel, N.
Deposit date:2020-06-07
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Phi class glutathione transferases as molecular targets towards multiple-herbicide resistance: Inhibition analysis and pharmacophore design.
Plant Physiol Biochem., 158, 2021
6ZEG
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BU of 6zeg by Molmil
Structure of PP1-IRSp53 chimera [PP1(7-304) + linker (G/S)x9 + IRSp53(449-465)] bound to Phactr1 (516-580)
Descriptor: 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE, MANGANESE (II) ION, ...
Authors:Mouilleron, S, Treisman, R, Fedoryshchak, R, Lee, R, Butler, A.M, Prechova, M.
Deposit date:2020-06-16
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme.
Elife, 9, 2020
8RKR
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BU of 8rkr by Molmil
Structure of human DELTA-1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE (ALDH4A1) complexed with a monophosphate-tweezer
Descriptor: (1R,5S,9S,16R,20R,24S,28S,35R)-22-(Dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaen-3-ol, BENZOIC ACID, Delta-1-pyrroline-5-carboxylate dehydrogenase, ...
Authors:Porfetye, A.T, Vetter, I.R.
Deposit date:2023-12-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:How Do Molecular Tweezers Bind to Proteins? Lessons from X-ray Crystallography.
Molecules, 29, 2024
6ZB3
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BU of 6zb3 by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH GSK620
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, PENTAETHYLENE GLYCOL, ...
Authors:Chung, C.
Deposit date:2020-06-06
Release date:2020-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.419 Å)
Cite:The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor.
J.Med.Chem., 63, 2020
8SON
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BU of 8son by Molmil
Crystal structure of macrophage migration inhibitory factor in complex with N-[3-(Trifluoromethyl)phenyl]-3-(2-chloroanilino)-2-cyano-3-thioxopropanamide
Descriptor: (2R)-3-[(2-chlorophenyl)amino]-2-cyano-3-thioxo-N-[3-(trifluoromethyl)phenyl]propanamide, GLYCEROL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2023-04-28
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal structure of the macrophage migration inhibitory factor in complex with N-[3-(Trifluoromethyl)phenyl]-3-(2-chloroanilino)-2-cyano-3-thioxopropanamide
To Be Published
6ZIR
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BU of 6zir by Molmil
CRYSTAL STRUCTURE OF NRAS (C118S) IN COMPLEX WITH GDP AND COMPOUND 18
Descriptor: (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase NRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Kessler, D, Fischer, G, Boettcher, J.
Deposit date:2020-06-26
Release date:2020-08-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
4FHX
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BU of 4fhx by Molmil
Crystal structures of the Cid1 poly (U) polymerase reveal the mechanism for UTP selectivity - H336N mutant bound to MgATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Poly(A) RNA polymerase protein cid1
Authors:Lunde, B.M, Magler, I, Meinhart, A.
Deposit date:2012-06-07
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of the Cid1 poly (U) polymerase reveal the mechanism for UTP selectivity.
Nucleic Acids Res., 40, 2012
6ZI2
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BU of 6zi2 by Molmil
OleP-oleandolide(DEO) in low salt crystallization conditions
Descriptor: (3~{R},4~{S},5~{R},6~{S},7~{S},9~{S},11~{R},12~{S},13~{R},14~{R})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Savino, C, Montemiglio, L.C, Vallone, B, Parisi, G, Cecchetti, C.
Deposit date:2020-06-24
Release date:2020-10-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Dissecting the Cytochrome P450 OleP Substrate Specificity: Evidence for a Preferential Substrate.
Biomolecules, 10, 2020

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