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1XH9
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BU of 1xh9 by Molmil
Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants
Descriptor: (R,R)-2,3-BUTANEDIOL, N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, ...
Authors:Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B.
Deposit date:2004-09-17
Release date:2005-09-17
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
1BQQ
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BU of 1bqq by Molmil
CRYSTAL STRUCTURE OF THE MT1-MMP--TIMP-2 COMPLEX
Descriptor: CALCIUM ION, MEMBRANE-TYPE MATRIX METALLOPROTEINASE, METALLOPROTEINASE INHIBITOR 2, ...
Authors:Fernandez-Catalan, C, Bode, W, Huber, R, Turk, D, Calvete, J.J, Lichte, A, Tschesche, H, Maskos, K.
Deposit date:1998-08-18
Release date:1999-08-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of the complex formed by the membrane type 1-matrix metalloproteinase with the tissue inhibitor of metalloproteinases-2, the soluble progelatinase A receptor.
EMBO J., 17, 1998
8DYA
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BU of 8dya by Molmil
Structure of the SARS-CoV-2 spike glycoprotein S2 subunit
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2022-08-03
Release date:2022-11-30
Last modified:2023-01-11
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:SARS-CoV-2 spike conformation determines plasma neutralizing activity elicited by a wide panel of human vaccines.
Sci Immunol, 7, 2022
8T1T
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BU of 8t1t by Molmil
Structure of the alpha-N-methyltransferase (SonM) and RiPP precursor (SonA with QSY deletion) heteromeric complex (bound to SAM)
Descriptor: Alpha-N-methyltransferase (SonM), RiPP precursor (SonA), S-ADENOSYLMETHIONINE, ...
Authors:Crone, K.K, Jomori, T, Miller, F.S, Gralnick, J, Elias, M, Freeman, M.F.
Deposit date:2023-06-03
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:RiPP enzyme heterocomplex structure-guided discovery of a bacterial borosin alpha- N -methylated peptide natural product.
Rsc Chem Biol, 4, 2023
8SKJ
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BU of 8skj by Molmil
Crystal structure of a Nanobody bound to the V5 peptide.
Descriptor: NbA1, V5 Epitope Tag Peptide
Authors:Zaghal, M, Matte, K, Venes, A, Patel, S, Laroche, G, Sarvan, S, Joshi, M, Couture, J.F, Giguere, P.M.
Deposit date:2023-04-19
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Development of a V5-tag-directed nanobody and its implementation as an intracellular biosensor of GPCR signaling.
J.Biol.Chem., 299, 2023
8T1S
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BU of 8t1s by Molmil
Structure of the alpha-N-methyltransferase (SonM) and RiPP precursor (SonA with QSY deletion) heteromeric complex (bound to SAH)
Descriptor: Alpha-N-methyltransferase, Extradiol ring-cleavage dioxygenase LigAB LigA subunit domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Crone, K.K, Jomori, T, Miller, F.S, Gralnick, J, Elias, M, Freeman, M.F.
Deposit date:2023-06-03
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:RiPP enzyme heterocomplex structure-guided discovery of a bacterial borosin alpha- N -methylated peptide natural product.
Rsc Chem Biol, 4, 2023
7QAN
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BU of 7qan by Molmil
Cytochrome P450 Enzyme AbyV
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, Cytochrome P450, ...
Authors:Parnell, A.E, Back, C.R, Race, P.R.
Deposit date:2021-11-17
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:The Role of Cytochrome P450 AbyV in the Final Stages of Abyssomicin C Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
6PLH
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BU of 6plh by Molmil
FAB fragment complexed with C-mannosylated tryptophan peptide
Descriptor: Fab 5G12 heavy chain, Fab 5G12 light chain, Interleukin-21 receptor, ...
Authors:John, A, Jarva, M.A, Goddard-Borger, E.D.
Deposit date:2019-06-30
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Yeast- and antibody-based tools for studying tryptophan C-mannosylation.
Nat.Chem.Biol., 17, 2021
6POM
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BU of 6pom by Molmil
Cryo-EM structure of the full-length Bacillus subtilis glyQS T-box riboswitch in complex with tRNA-Gly
Descriptor: T-box GlyQS leader (155-MER), tRNAGly (75-MER)
Authors:Li, S, Su, Z, Zhang, J, Chiu, W.
Deposit date:2019-07-04
Release date:2019-11-20
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Structural basis of amino acid surveillance by higher-order tRNA-mRNA interactions.
Nat.Struct.Mol.Biol., 26, 2019
8DUT
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BU of 8dut by Molmil
Duplex-G-quadruplex-duplex (DGD) class_1
Descriptor: Duplex-G-quadruplex-duplex (46-MER)
Authors:Monsen, R.C, Chua, E.Y.D, Hopkins, J.B, Chaires, J.B, Trent, J.O.
Deposit date:2022-07-27
Release date:2023-02-08
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (7.4 Å)
Cite:Structure of a 28.5 kDa duplex-embedded G-quadruplex system resolved to 7.4 angstrom resolution with cryo-EM.
Nucleic Acids Res., 51, 2023
6PY8
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BU of 6py8 by Molmil
Crystal structure of the RBPJ-NOTCH1-NRARP ternary complex bound to DNA
Descriptor: DNA, Neurogenic locus notch homolog protein 1, Notch-regulated ankyrin repeat-containing protein, ...
Authors:Jarrett, S.M, Seegar, T.C.M, Blacklow, S.C.
Deposit date:2019-07-29
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.75 Å)
Cite:Extension of the Notch intracellular domain ankyrin repeat stack by NRARP promotes feedback inhibition of Notch signaling.
Sci.Signal., 12, 2019
8DUF
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BU of 8duf by Molmil
Crystal structure of Venezuelan Equine Encephalitis alphavirus (VEEV) nonstructural protein 2 (nsp2) (K741A/K767A) protease domain
Descriptor: nsp2 protease domain
Authors:Lountos, G.T.
Deposit date:2022-07-27
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Self-inhibited State of Venezuelan Equine Encephalitis Virus (VEEV) nsP2 Cysteine Protease: A Crystallographic and Molecular Dynamics Analysis.
J.Mol.Biol., 435, 2023
8SVC
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BU of 8svc by Molmil
Crystal Structure of SBP from Klebsiella pneumoniae
Descriptor: Metal ABC transporter substrate-binding protein, SULFATE ION, ZINC ION
Authors:Giles, M.W, Cole, G.B, Ng, D, McDevitt, C.A, Moraes, T.F.
Deposit date:2023-05-16
Release date:2024-01-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Zinc acquisition and its contribution to Klebsiella pneumoniae virulence.
Front Cell Infect Microbiol, 13, 2023
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
8E5T
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BU of 8e5t by Molmil
Yeast co-transcriptional Noc1-Noc2 RNP assembly checkpoint intermediate
Descriptor: 25S ribosomal RNA, 5.8S ribosomal RNA, 60S ribosomal protein L13-A, ...
Authors:Sanghai, Z.A, Piwowarczyk, R, Vanden Broeck, A, Klinge, S.
Deposit date:2022-08-22
Release date:2023-04-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4 Å)
Cite:A co-transcriptional ribosome assembly checkpoint controls nascent large ribosomal subunit maturation.
Nat.Struct.Mol.Biol., 30, 2023
8QX2
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BU of 8qx2 by Molmil
Aplysia californica acetylcholine-binding protein in complex with racemic spiroimine (+)/(-)-4
Descriptor: ISOPROPYL ALCOHOL, Soluble acetylcholine receptor, Spiroimine (+)-4 R
Authors:Sulzenbacher, G, Bourne, Y, Marchot, P.
Deposit date:2023-10-20
Release date:2024-04-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Cyclic Imine Core Common to the Marine Macrocyclic Toxins Is Sufficient to Dictate Nicotinic Acetylcholine Receptor Antagonism.
Mar Drugs, 22, 2024
8PWX
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BU of 8pwx by Molmil
PfRH5 bound to monoclonal antibody R5.008
Descriptor: GLYCEROL, Reticulocyte-binding protein homolog 5, scFv fragment for antibody R5.008
Authors:Farrell, B, Higgins, M.K.
Deposit date:2023-07-21
Release date:2024-06-05
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:PfRH5 bound to monoclonal antibody R5.008
To Be Published
6Q7P
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BU of 6q7p by Molmil
Crystal structure of OE1.2
Descriptor: 1,2-ETHANEDIOL, 1-PHENYLETHANONE, MAGNESIUM ION, ...
Authors:Levy, C.W.
Deposit date:2018-12-13
Release date:2019-06-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Design and evolution of an enzyme with a non-canonical organocatalytic mechanism.
Nature, 570, 2019
7RK8
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BU of 7rk8 by Molmil
Cryo-EM Structure of Adeno-Associated Virus Serotype 9 with Engineered Peptide Domain PHP.B (AAV9-PHP.B)
Descriptor: Capsid protein VP1
Authors:Fluck, E.C, Pumroy, R.A, Moiseenkova-Bell, V.Y.
Deposit date:2021-07-22
Release date:2021-08-04
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.27 Å)
Cite:Context-Specific Function of the Engineered Peptide Domain of PHP.B.
J.Virol., 95, 2021
2VDC
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BU of 2vdc by Molmil
THE 9.5 A RESOLUTION STRUCTURE OF GLUTAMATE SYNTHASE FROM CRYO-ELECTRON MICROSCOPY AND ITS OLIGOMERIZATION BEHAVIOR IN SOLUTION: FUNCTIONAL IMPLICATIONS.
Descriptor: 2-OXOGLUTARIC ACID, FE3-S4 CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Cottevieille, M, Larquet, E, Jonic, S, Petoukhov, M.V, Caprini, G, Paravisi, S, Svergun, D.I, Vanoni, M.A, Boisset, N.
Deposit date:2007-10-04
Release date:2008-01-15
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (9.5 Å)
Cite:The Subnanometer Resolution Structure of the Glutamate Synthase 1.2-Mda Hexamer by Cryoelectron Microscopy and its Oligomerization Behavior in Solution: Functional Implications.
J.Biol.Chem., 283, 2008
2VGC
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BU of 2vgc by Molmil
GAMMA-CHYMOTRYPSIN D-PARA-CHLORO-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
Descriptor: D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID, GAMMA CHYMOTRYPSIN, SULFATE ION
Authors:Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
Deposit date:1997-05-01
Release date:1997-11-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
7RK9
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BU of 7rk9 by Molmil
Cryo-EM Structure of Adeno-Associated Virus Serotype 1 with Engineered Peptide Domain PHP.B (AAV1-PHP.B)
Descriptor: Capsid protein
Authors:Fluck, E.C, Pumroy, R.A, Moiseenkova-Bell, V.Y.
Deposit date:2021-07-22
Release date:2021-08-04
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.32 Å)
Cite:Context-Specific Function of the Engineered Peptide Domain of PHP.B.
J.Virol., 95, 2021
1XH8
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BU of 1xh8 by Molmil
Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants
Descriptor: N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN-1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ...
Authors:Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B.
Deposit date:2004-09-17
Release date:2005-09-17
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
6Q7R
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BU of 6q7r by Molmil
Crystal structure of OE1.3 alkylated with the mechanistic inhibitor 2-bromoacetophenone
Descriptor: 1-PHENYLETHANONE, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Levy, C.W.
Deposit date:2018-12-13
Release date:2019-06-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design and evolution of an enzyme with a non-canonical organocatalytic mechanism.
Nature, 570, 2019
1XH6
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BU of 1xh6 by Molmil
Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants
Descriptor: N-(4-{[4-(2-HYDROXY-5-PIPERIDIN-1-YLBENZOYL)BENZOYL]AMINO}AZEPAN-3-YL)ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ...
Authors:Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B.
Deposit date:2004-09-17
Release date:2005-09-17
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005

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