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6Z3U
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BU of 6z3u by Molmil
Structure of the CAK complex form Chaetomium thermophilum
Descriptor: CHLORIDE ION, CYCLIN domain-containing protein, Protein kinase domain-containing protein, ...
Authors:Peissert, S, Kuper, J, Kisker, C.
Deposit date:2020-05-22
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for CDK7 activation by MAT1 and Cyclin H.
Proc.Natl.Acad.Sci.USA, 117, 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:2024-11-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z3W
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BU of 6z3w by Molmil
Human ER membrane protein complex
Descriptor: ER membrane protein complex subunit 1,ER membrane protein complex subunit 1,ER membrane protein complex subunit 1,ER membrane protein complex subunit 1, ER membrane protein complex subunit 10, ER membrane protein complex subunit 2, ...
Authors:Hegde, R.S, O'Donnell, J.P.
Deposit date:2020-05-22
Release date:2020-07-15
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:The architecture of EMC reveals a path for membrane protein insertion.
Elife, 9, 2020
6Z3X
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BU of 6z3x by Molmil
Crystal structure of the designed antibody DesAb-anti-HSA-P1
Descriptor: CACODYLATE ION, DesAb-anti-HSA-P1, IMIDAZOLE, ...
Authors:Costanzi, E, Sormanni, P, Ricagno, S.
Deposit date:2020-05-22
Release date:2021-03-31
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Fragment-based computational design of antibodies targeting structured epitopes.
Sci Adv, 8, 2022
6Z3Y
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BU of 6z3y by Molmil
CryoEM structure of horse sodium/proton exchanger NHE9 in an inward-facing conformation
Descriptor: Sodium/hydrogen exchanger
Authors:Winkelmannm, I, Matsuoka, R, Meier, P, Drew, D.
Deposit date:2020-05-22
Release date:2020-11-04
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (3.51 Å)
Cite:Structure and elevator mechanism of the mammalian sodium/proton exchanger NHE9.
Embo J., 39, 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:2025-07-02
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Structure and elevator mechanism of the mammalian sodium/proton exchanger NHE9.
Embo J., 39, 2020
6Z40
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BU of 6z40 by Molmil
NMR solution structure of the carbohydrate-binding module family 5 (CBM5) from Cellvibrio japonicus CjLPMO10A
Descriptor: Carbohydrate binding protein, putative, cpb33A
Authors:Madland, E, Aachmann, F.L, Courtade, G.
Deposit date:2020-05-22
Release date:2021-05-05
Last modified:2024-11-13
Method:SOLUTION NMR
Cite:Structural and functional variation of chitin-binding domains of a lytic polysaccharide monooxygenase from Cellvibrio japonicus.
J.Biol.Chem., 297, 2021
6Z41
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BU of 6z41 by Molmil
NMR solution structure of the carbohydrate-binding module family 73 (CBM73) from Cellvibrio japonicus CjLPMO10A
Descriptor: Carbohydrate binding protein, putative, cpb33A
Authors:Madland, E, Aachmann, F.L, Courtade, G.
Deposit date:2020-05-22
Release date:2021-05-05
Last modified:2024-11-20
Method:SOLUTION NMR
Cite:Structural and functional variation of chitin-binding domains of a lytic polysaccharide monooxygenase from Cellvibrio japonicus.
J.Biol.Chem., 297, 2021
6Z42
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BU of 6z42 by Molmil
The low resolution structure of a zinc-dependent alcohol dehydrogenase from Halomonas elongata.
Descriptor: Alcohol dehydrogenase, zinc-containing, ZINC ION
Authors:Gourlay, L.J.
Deposit date:2020-05-22
Release date:2020-06-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (4 Å)
Cite:Uncommon overoxidative catalytic activity in a new halo-tolerant alcohol dehydrogenase
Chemcatchem, 2020
6Z43
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BU of 6z43 by Molmil
Cryo-EM Structure of SARS-CoV-2 Spike : H11-D4 Nanobody Complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody, ...
Authors:Ruza, R.R, Duyvesteyn, H.M.E, Shah, P, Carrique, L, Ren, J, Malinauskas, T, Zhou, D, Stuart, D.I, Naismith, J.H.
Deposit date:2020-05-22
Release date:2020-06-03
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for a potent neutralising single-domain antibody that blocks SARS-CoV-2 binding to its receptor ACE2
To Be Published
6Z44
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BU of 6z44 by Molmil
Crystal structure of the cAMP-dependent protein kinase A in complex with phenol
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, DIMETHYL SULFOXIDE, PHENOL, ...
Authors:Oebbeke, M, Heine, A, Klebe, G.
Deposit date:2020-05-22
Release date:2020-12-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
6Z45
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BU of 6z45 by Molmil
CDK9-Cyclin-T1 complex bound by compound 24
Descriptor: (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cyclin-T1, ...
Authors:Ferguson, A, Collie, G.W.
Deposit date:2020-05-22
Release date:2020-12-23
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.37 Å)
Cite:Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies.
J.Med.Chem., 63, 2020
6Z46
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BU of 6z46 by Molmil
Structure of the S. acidocaldarius 20S proteasome (Saci0613/Saci0662)
Descriptor: Proteasome subunit alpha, Proteasome subunit beta
Authors:Robinson, N.P, Bray, S.M.
Deposit date:2020-05-22
Release date:2020-08-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.698 Å)
Cite:The proteasome controls ESCRT-III-mediated cell division in an archaeon.
Science, 369, 2020
6Z47
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BU of 6z47 by Molmil
Smooth muscle myosin shutdown state heads region
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin heavy chain 11, ...
Authors:Scarff, C.A, Carrington, G, Casas Mao, D, Chalovich, J.M, Knight, P.J, Ranson, N.A, Peckham, M.
Deposit date:2020-05-22
Release date:2020-12-09
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (6.3 Å)
Cite:Structure of the shutdown state of myosin-2.
Nature, 588, 2020
6Z48
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BU of 6z48 by Molmil
Crystal structure of Thrombin in complex with macrocycle X1vE
Descriptor: 5-chloranyl-N-[[(4S,15R)-2,5,13,16-tetrakis(oxidanylidene)-15-propan-2-yl-9,10-dithia-3,6,14,17-tetrazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-4-yl]methyl]thiophene-2-carboxamide, SODIUM ION, Thrombin heavy chain, ...
Authors:Angelini, A, Habeshian, S, Heinis, C, Cendron, L.
Deposit date:2020-05-23
Release date:2022-06-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Synthesis and direct assay of large macrocycle diversities by combinatorial late-stage modification at picomole scale.
Nat Commun, 13, 2022
6Z49
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BU of 6z49 by Molmil
Crystal structure of deubiquitinase Mindy2
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, ...
Authors:Abdul Rehman, S.A, Kulathu, Y.
Deposit date:2020-05-23
Release date:2021-06-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism of activation and regulation of deubiquitinase activity in MINDY1 and MINDY2.
Mol.Cell, 81, 2021
6Z4A
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BU of 6z4a by Molmil
Structure of the human SAS-6 N-terminal domain, F131E mutant
Descriptor: GLYCEROL, Spindle assembly abnormal protein 6 homolog
Authors:Busch, J.M.C, Vakonakis, I.
Deposit date:2020-05-25
Release date:2020-09-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Identification of compounds that bind the centriolar protein SAS-6 and inhibit its oligomerization.
J.Biol.Chem., 295, 2020
6Z4B
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BU of 6z4b by Molmil
Crystal Structure of EGFR-T790M/V948R in Complex with Osimertinib and EAI045
Descriptor: (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, SULFATE ION, ...
Authors:Niggenaber, J, Mueller, M.P, Rauh, D.
Deposit date:2020-05-25
Release date:2020-11-11
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Complex Crystal Structures of EGFR with Third-Generation Kinase Inhibitors and Simultaneously Bound Allosteric Ligands.
Acs Med.Chem.Lett., 11, 2020
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
6Z4D
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BU of 6z4d by Molmil
Crystal Structure of EGFR-T790M/V948R in Complex with Mavelertinib and EAI001
Descriptor: (2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide, ...
Authors:Niggenaber, J, Mueller, M.P, Rauh, D.
Deposit date:2020-05-25
Release date:2020-11-11
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Complex Crystal Structures of EGFR with Third-Generation Kinase Inhibitors and Simultaneously Bound Allosteric Ligands.
Acs Med.Chem.Lett., 11, 2020
6Z4E
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BU of 6z4e by Molmil
The structure of the C-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:2024-05-15
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
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:2024-10-23
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:2024-10-23
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:2024-11-20
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:2024-11-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020

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