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6N0P
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BU of 6n0p by Molmil
BRAF in complex with N-(3-(2-(2-hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide (LXH254)
Descriptor: N-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide, Serine/threonine-protein kinase B-raf
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-11-07
Release date:2019-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic.
J.Med.Chem., 63, 2020
6N5W
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BU of 6n5w by Molmil
Crystal structure of the Ca2+/CaM complex with independent peptides of Kv7.4 (KCNQ4) A & B domains
Descriptor: CALCIUM ION, Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 4
Authors:Taylor, A.B, Archer, C.R, Shapiro, M.S.
Deposit date:2018-11-22
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A mutually induced conformational fit underlies Ca2+-directed interactions between calmodulin and the proximal C terminus of KCNQ4 K+channels.
J. Biol. Chem., 294, 2019
6MQE
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BU of 6mqe by Molmil
Vaccine-elicited NHP FP-targeting HIV neutralizing antibody DFPH-a.15 in complex with HIV fusion peptide (residue 512-519)
Descriptor: DFPHa.15 antibody Fab heavy chain, DFPHa.15 antibody Fab light chain, HIV fusion peptide
Authors:Xu, K, Wang, Y, Kwong, P.D.
Deposit date:2018-10-09
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.459 Å)
Cite:Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
6MQS
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BU of 6mqs by Molmil
Vaccine-elicited NHP FP-targeting HIV neutralizing antibody A12V163-a.01 in complex with HIV fusion peptide (residue 512-519)
Descriptor: HIV fusion peptide residue 512-519, antibody A12V163-a.01 heavy chain, antibody A12V163-a.01 light chain
Authors:Xu, K, Wang, Y, Kwong, P.D.
Deposit date:2018-10-10
Release date:2019-07-31
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (2.997 Å)
Cite:Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
6NCN
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BU of 6ncn by Molmil
Fragment-based Discovery of an apoE4 Stabilizer
Descriptor: 1-(3-chlorophenyl)cyclobutane-1-carboximidamide, Apolipoprotein E
Authors:Jakob, C.G, Qiu, W.
Deposit date:2018-12-11
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Fragment-Based Discovery of an Apolipoprotein E4 (apoE4) Stabilizer.
J.Med.Chem., 62, 2019
5NKL
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BU of 5nkl by Molmil
Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in a closed ternary complex with the artificial base pair dDs-dPxTP
Descriptor: ACETATE ION, DNA (5'-D(*AP*AP*AP*(DNU)P*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ...
Authors:Betz, K, Marx, A, Diederichs, K, Hirao, I, Kimoto, M.
Deposit date:2017-03-31
Release date:2017-06-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis for Expansion of the Genetic Alphabet with an Artificial Nucleobase Pair.
Angew. Chem. Int. Ed. Engl., 56, 2017
1DYJ
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BU of 1dyj by Molmil
ISOMORPHOUS CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE, 5-DEAZAFOLATE AND 5,10-DIDEAZATETRAHYDROFOLATE: MECHANISTIC IMPLICATIONS
Descriptor: 5,10-DIDEAZATETRAHYDROFOLIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Reyes, V.M, Kraut, J.
Deposit date:1994-10-26
Release date:1995-06-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Isomorphous crystal structures of Escherichia coli dihydrofolate reductase complexed with folate, 5-deazafolate, and 5,10-dideazatetrahydrofolate: mechanistic implications.
Biochemistry, 34, 1995
6NW0
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BU of 6nw0 by Molmil
Crystal Structure Desulfovibrio desulfuricans Nickel-Substituted Rubredoxin
Descriptor: NICKEL (II) ION, Rubredoxin
Authors:Slater, J.W, Marguet, S.C, Gray, M.E, Sotomayor, M, Shafaat, H.S.
Deposit date:2019-02-05
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Power of the Secondary Sphere: Modulating Hydrogenase Activity in Nickel-Substituted Rubredoxin
Acs Catalysis, 2019
6NF2
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BU of 6nf2 by Molmil
Cryo-EM structure of vaccine-elicited antibody 0PV-c.01 in complex with HIV-1 Env BG505 DS-SOSIP and antibodies VRC03 and PGT122
Descriptor: 0PV-c.01 Heavy Chain, 0PV-c.01 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gorman, J, Kwong, P.D.
Deposit date:2018-12-18
Release date:2019-07-24
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
6NSS
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BU of 6nss by Molmil
TRK-A IN COMPLEX WITH LIGAND 6
Descriptor: High affinity nerve growth factor receptor, N-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)-2-(10H-phenoxazin-10-yl)acetamide
Authors:Subramanian, G, Brown, D.G.
Deposit date:2019-01-25
Release date:2019-05-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Deciphering the Allosteric Binding Mechanism of the Human Tropomyosin Receptor Kinase A ( hTrkA) Inhibitors.
Acs Chem.Biol., 14, 2019
6NCO
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BU of 6nco by Molmil
Fragment-based Discovery of an apoE4 Stabilizer
Descriptor: 1-[5-chloro-4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]cyclobutane-1-carboximidamide, Apolipoprotein E
Authors:Jakob, C.G, Qiu, W.
Deposit date:2018-12-11
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.707 Å)
Cite:Fragment-Based Discovery of an Apolipoprotein E4 (apoE4) Stabilizer.
J.Med.Chem., 62, 2019
5NWX
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BU of 5nwx by Molmil
Insight into the molecular recognition mechanism of the coactivator NCoA1 by STAT6
Descriptor: Nuclear receptor coactivator 1, Signal transducer and activator of transcription 6
Authors:Russo, L, Giller, K, Pfitzner, E, Griesinger, C, Becker, S.
Deposit date:2017-05-08
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Insight into the molecular recognition mechanism of the coactivator NCoA1 by STAT6.
Sci Rep, 7, 2017
1DYH
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BU of 1dyh by Molmil
ISOMORPHOUS CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE, 5-DEAZAFOLATE AND 5,10-DIDEAZATETRAHYDROFOLATE: MECHANISTIC IMPLICATIONS
Descriptor: 5-DEAZAFOLIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Reyes, V.M, Kraut, J.
Deposit date:1994-10-26
Release date:1995-06-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Isomorphous crystal structures of Escherichia coli dihydrofolate reductase complexed with folate, 5-deazafolate, and 5,10-dideazatetrahydrofolate: mechanistic implications.
Biochemistry, 34, 1995
1DYI
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BU of 1dyi by Molmil
ISOMORPHOUS CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE, 5-DEAZAFOLATE AND 5,10-DIDEAZATETRAHYDROFOLATE: MECHANISTIC IMPLICATIONS
Descriptor: CALCIUM ION, CHLORIDE ION, DIHYDROFOLATE REDUCTASE, ...
Authors:Reyes, V.M, Kraut, J.
Deposit date:1994-10-26
Release date:1995-06-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Isomorphous crystal structures of Escherichia coli dihydrofolate reductase complexed with folate, 5-deazafolate, and 5,10-dideazatetrahydrofolate: mechanistic implications.
Biochemistry, 34, 1995
6NW1
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BU of 6nw1 by Molmil
Crystal Structure Desulfovibrio desulfuricans Nickel-Substituted Rubredoxin V37N
Descriptor: NICKEL (II) ION, Rubredoxin
Authors:Slater, J.W, Marguet, S.C, Gray, M.E, Sotomayor, M, Shafaat, H.S.
Deposit date:2019-02-05
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The Power of the Secondary Sphere: Modulating Hydrogenase Activity in Nickel-Substituted Rubredoxin
Acs Catalysis, 2019
1EBU
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BU of 1ebu by Molmil
HOMOSERINE DEHYDROGENASE COMPLEX WITH NAD ANALOGUE AND L-HOMOSERINE
Descriptor: 3-AMINOMETHYL-PYRIDINIUM-ADENINE-DINUCLEOTIDE, HOMOSERINE DEHYDROGENASE, L-HOMOSERINE, ...
Authors:DeLaBarre, B, Thompson, P.R, Wright, G.D, Berghuis, A.M.
Deposit date:2000-01-24
Release date:2000-03-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of homoserine dehydrogenase suggest a novel catalytic mechanism for oxidoreductases.
Nat.Struct.Biol., 7, 2000
6NPT
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BU of 6npt by Molmil
TRK-A IN COMPLEX WITH LIGAND 1
Descriptor: 4-tert-butyl-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide, High affinity nerve growth factor receptor
Authors:Subramanian, G.
Deposit date:2019-01-18
Release date:2019-05-22
Last modified:2019-07-10
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Deciphering the Allosteric Binding Mechanism of the Human Tropomyosin Receptor Kinase A ( hTrkA) Inhibitors.
Acs Chem.Biol., 14, 2019
6NXE
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BU of 6nxe by Molmil
Cryo-EM Reconstruction of Protease-Activateable Adeno-Associated Virus 9 (AAV9-L001)
Descriptor: Capsid protein VP1
Authors:Bennett, A.B, Agbandje-Mckenna, M.
Deposit date:2019-02-08
Release date:2019-03-13
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Protease-Activatable Adeno-Associated Virus Vector for Gene Delivery to Damaged Heart Tissue.
Mol. Ther., 27, 2019
1XK5
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BU of 1xk5 by Molmil
Crystal structure of the m3G-cap-binding domain of snurportin1 in complex with a m3GpppG-cap dinucleotide
Descriptor: 2,2,7-TRIMETHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, snurportin-1
Authors:Strasser, A, Dickmanns, A, Luehrmann, R, Ficner, R.
Deposit date:2004-09-27
Release date:2005-06-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for m(3)G-cap-mediated nuclear import of spliceosomal UsnRNPs by snurportin1
Embo J., 24, 2005
376D
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BU of 376d by Molmil
A ZIPPER-LIKE DNA DUPLEX D(GCGAAAGCT)
Descriptor: COBALT HEXAMMINE(III), DNA (5'-D(*GP*(CBR)P*GP*AP*AP*AP*GP*CP*T)-3')
Authors:Cruse, W.B.T, Shepard, W, Prange, T, delalFortelle, E, Fourme, R.
Deposit date:1998-01-22
Release date:1999-10-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A zipper-like duplex in DNA: the crystal structure of d(GCGAAAGCT) at 2.1 A resolution.
Structure, 6, 1998
4ZHL
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BU of 4zhl by Molmil
The crystal structure of mupain-1-IG in complex with murinised human uPA at pH7.4
Descriptor: Urokinase-type plasminogen activator, mupain-1-IG
Authors:Jiang, L, Andreasen, P.A, Huang, M.
Deposit date:2015-04-25
Release date:2015-09-16
Last modified:2015-10-14
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Selection of High-Affinity Peptidic Serine Protease Inhibitors with Increased Binding Entropy from a Back-Flip Library of Peptide-Protease Fusions.
J.Mol.Biol., 427, 2015
8GPB
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BU of 8gpb by Molmil
STRUCTURAL MECHANISM FOR GLYCOGEN PHOSPHORYLASE CONTROL BY PHOSPHORYLATION AND AMP
Descriptor: ADENOSINE MONOPHOSPHATE, GLYCOGEN PHOSPHORYLASE B, PYRIDOXAL-5'-PHOSPHATE
Authors:Barford, D, Hu, S.-H, Johnson, L.N.
Deposit date:1990-11-13
Release date:1992-10-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural mechanism for glycogen phosphorylase control by phosphorylation and AMP.
J.Mol.Biol., 218, 1991
2I0A
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BU of 2i0a by Molmil
Crystal Structure of KB-19 complexed with wild type HIV-1 protease
Descriptor: (5S)-3-(4-ACETYLPHENYL)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]-2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE, GLYCEROL, PHOSPHATE ION, ...
Authors:Nalam, M.N.L, Schiffer, C.A, Ali, A, Reddy, K.K, Cao, H, Anjum, S.G, Rana, T.M.
Deposit date:2006-08-10
Release date:2006-12-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of HIV-1 Protease Inhibitors with Picomolar Affinities Incorporating N-Aryl-oxazolidinone-5-carboxamides as Novel P2 Ligands.
J.Med.Chem., 49, 2006
4NOX
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BU of 4nox by Molmil
Structure of the nine-bladed beta-propeller of eIF3b
Descriptor: CHLORIDE ION, Eukaryotic translation initiation factor 3 subunit B
Authors:Liu, Y, Neumann, P, Kuhle, B, Monecke, T, Ficner, R.
Deposit date:2013-11-20
Release date:2014-09-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.722 Å)
Cite:Translation initiation factor eIF3b contains a nine-bladed beta-propeller and interacts with the 40S ribosomal subunit
Structure, 22, 2014
6ORT
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BU of 6ort by Molmil
Crystal Structure of Bos taurus Mxra8 Ectodomain
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Matrix remodeling-associated protein 8
Authors:Fremont, D.H, Kim, A.S, Nelson, C.A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-04-30
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:An Evolutionary Insertion in the Mxra8 Receptor-Binding Site Confers Resistance to Alphavirus Infection and Pathogenesis.
Cell Host Microbe, 27, 2020

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