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1BZ0
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BU of 1bz0 by Molmil
HEMOGLOBIN A (HUMAN, DEOXY, HIGH SALT)
Descriptor: PROTEIN (HEMOGLOBIN ALPHA CHAIN), PROTEIN (HEMOGLOBIN BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE
Authors:Kavanaugh, J.S, Arnone, A.
Deposit date:1998-11-04
Release date:1998-11-11
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Accommodation of insertions in helices: the mutation in hemoglobin Catonsville (Pro 37 alpha-Glu-Thr 38 alpha) generates a 3(10)-->alpha bulge.
Biochemistry, 32, 1993
2WB6
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BU of 2wb6 by Molmil
Crystal structure of AFV1-102, a protein from the Acidianus Filamentous Virus 1
Descriptor: AFV1-102, CHLORIDE ION
Authors:Keller, J, Leulliot, N, Collinet, B, Campanacci, V, Cambillau, C, Pranghisvilli, D, van Tilbeurgh, H.
Deposit date:2009-02-22
Release date:2009-03-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of Afv1-102, a Protein from the Acidianus Filamentous Virus 1.
Protein Sci., 18, 2009
5EA2
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BU of 5ea2 by Molmil
Crystal Structure of Holo NAD(P)H dehydrogenase, quinone 1
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1
Authors:Pidugu, L.S, Mbimba, J.E, Ahmad, M, Pozharski, E, Sausville, E.A, Emadi, A, Toth, E.A.
Deposit date:2015-10-15
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:A direct interaction between NQO1 and a chemotherapeutic dimeric naphthoquinone.
Bmc Struct.Biol., 16, 2016
5EAI
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Crystal Structure of NAD(P)H dehydrogenase, quinone 1 complexed with a chemotherapeutic naphthoquinone E6a
Descriptor: (2~{R},3~{R})-2-[(2~{S},3~{S})-3-bromanyl-1,4-bis(oxidanylidene)-2,3-dihydronaphthalen-2-yl]-3-oxidanyl-2,3-dihydronaphthalene-1,4-dione, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1
Authors:Pidugu, L.S, Mbimba, J.E, Ahmad, M, Pozharski, E, Sausville, E.A, Emadi, A, Toth, E.A.
Deposit date:2015-10-16
Release date:2016-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A direct interaction between NQO1 and a chemotherapeutic dimeric naphthoquinone.
Bmc Struct.Biol., 16, 2016
8G63
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BU of 8g63 by Molmil
Ralimetinib (LY2228820) in complex with wild type EGFR
Descriptor: Epidermal growth factor receptor, ralimetinib
Authors:Chitnis, S.P, Heppner, D.E.
Deposit date:2023-02-14
Release date:2023-10-11
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Inhibition of a lower potency target drives the anticancer activity of a clinical p38 inhibitor.
Cell Chem Biol, 30, 2023
1PWP
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BU of 1pwp by Molmil
Crystal Structure of the Anthrax Lethal Factor complexed with Small Molecule Inhibitor NSC 12155
Descriptor: Lethal factor, N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA, ZINC ION
Authors:Wong, T.Y, Schwarzenbacher, R, Liddington, R.C.
Deposit date:2003-07-02
Release date:2004-01-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of small molecule inhibitors of anthrax lethal factor.
Nat.Struct.Mol.Biol., 11, 2004
1E1V
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BU of 1e1v by Molmil
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR NU2058
Descriptor: 6-O-CYCLOHEXYLMETHYL GUANINE, CYCLIN-DEPENDENT PROTEIN KINASE 2
Authors:Endicott, J.A, Noble, M.E.M, Johnson, L.N.
Deposit date:2000-05-11
Release date:2001-05-10
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Identification of Novel Purine and Pyrimidine Cyclin-Dependent Kinase Inhibitors with Distinct Molecular Interactions and Tumor Cell Growth Inhibition Profiles.
J.Med.Chem., 43, 2000
1E1X
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BU of 1e1x by Molmil
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR NU6027
Descriptor: 6-CYCLOHEXYLMETHYLOXY-5-NITROSO-PYRIMIDINE-2,4-DIAMINE, CYCLIN-DEPENDENT PROTEIN KINASE 2
Authors:Endicott, J.A, Noble, M.E.M, Johnson, L.N.
Deposit date:2000-05-11
Release date:2001-05-10
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of Novel Purine and Pyrimidine Cyclin-Dependent Kinase Inhibitors with Distinct Molecular Interactions and Tumor Cell Growth Inhibition Profiles.
J.Med.Chem., 43, 2000
2K6M
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BU of 2k6m by Molmil
Solution Structure of Human Supervillin Headpiece
Descriptor: Supervillin
Authors:Brown, J.W, Didem, V, McKnight, C.
Deposit date:2008-07-11
Release date:2009-07-14
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:How to arm a supervillin: designing F-actin binding activity into supervillin headpiece.
J.Mol.Biol., 393, 2009
2K6N
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BU of 2k6n by Molmil
Solution Structure of Human Supervillin Headpiece, Minimized Average
Descriptor: Supervillin
Authors:Brown, J.W, Didem, V, McKnight, C.
Deposit date:2008-07-11
Release date:2009-07-14
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:How to arm a supervillin: designing F-actin binding activity into supervillin headpiece.
J.Mol.Biol., 393, 2009
2A4L
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BU of 2a4l by Molmil
Human cyclin-dependent kinase 2 in complex with roscovitine
Descriptor: Homo sapiens cyclin-dependent kinase 2, R-ROSCOVITINE
Authors:De Azevedo Jr, W.F, Kim, S.H.
Deposit date:2005-06-29
Release date:2006-10-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Inhibition of cyclin-dependent kinases by purine analogues: crystal structure of human cdk2 complexed with roscovitine.
Eur.J.Biochem., 243, 1997
6CNV
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BU of 6cnv by Molmil
INFLUENZA B/BRISBANE HEMAGGLUTININ FAB CR9115 SD84H 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, CR9114 Fab heavy chain, ...
Authors:Luo, J, Obmolova, G.
Deposit date:2018-03-09
Release date:2018-11-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Universal protection against influenza infection by a multidomain antibody to influenza hemagglutinin.
Science, 362, 2018
4CR4
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BU of 4cr4 by Molmil
Deep classification of a large cryo-EM dataset defines the conformational landscape of the 26S proteasome
Descriptor: 26S PROTEASE REGULATORY SUBUNIT 4 HOMOLOG, 26S PROTEASE REGULATORY SUBUNIT 6A, 26S PROTEASE REGULATORY SUBUNIT 6B HOMOLOG, ...
Authors:Unverdorben, P, Beck, F, Sledz, P, Schweitzer, A, Pfeifer, G, Plitzko, J.M, Baumeister, W, Foerster, F.
Deposit date:2014-02-25
Release date:2014-04-02
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (8.8 Å)
Cite:Deep Classification of a Large Cryo-Em Dataset Defines the Conformational Landscape of the 26S Proteasome.
Proc.Natl.Acad.Sci.USA, 111, 2014
7O2L
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BU of 7o2l by Molmil
Yeast 20S proteasome in complex with the covalently bound inhibitor b-lactone (2R,3S)-3-isopropyl-4-oxo-2-oxetane-carboxylate (IOC)
Descriptor: (2 {R},3 {S})-3-methanoyl-4-methyl-2-hydroxy-pentanoic acid, 20S proteasome, BJ4_G0020160.mRNA.1.CDS.1, ...
Authors:Shi, Y.M, Hirschmann, M, Shi, Y.N, Shabbir, A, Abebew, D, Tobias, N.J, Gruen, P, Crames, J.J, Poeschel, L, Kuttenlochner, W, Richter, C, Herrmann, J, Mueller, R, Thanwisai, A, Pidot, S.J, Stinear, T.P, Groll, M, Kim, Y, Bode, H.
Deposit date:2021-03-30
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Global analysis of biosynthetic gene clusters reveals conserved and unique natural products in entomopathogenic nematode-symbiotic bacteria.
Nat.Chem., 14, 2022
4X6Z
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BU of 4x6z by Molmil
Yeast 20S proteasome in complex with PR-VI modulator
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, MAGNESIUM ION, ...
Authors:Rostankowski, R, Witkowska, J, Borek, D, Otwinowski, Z, Jankowska, E.
Deposit date:2014-12-09
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures revealed the common place of binding of low-molecular mass activators with the 20S proteasome
To Be Published
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
5JHR
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BU of 5jhr by Molmil
Yeast 20S proteasome in complex with the peptidic epoxyketone inhibitor 27
Descriptor: (2S)-2-azido-N-[(2S)-3-(biphenyl-4-yl)-1-{[(2S)-1-{[(2S,3S,4R)-3,5-dihydroxy-4-methylpentan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-1-oxopropan-2-yl]-3-phenylpropanamide (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2016-04-21
Release date:2016-08-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-Based Design of beta 5c Selective Inhibitors of Human Constitutive Proteasomes.
J.Med.Chem., 59, 2016
8BW1
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BU of 8bw1 by Molmil
Yeast 20S proteasome in complex with an engineered fellutamide derivative (C14QAL)
Descriptor: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Bozhueyuek, K.A.J, Praeve, L, Kegler, C, Kaiser, S, Shi, Y, Kuttenlochner, W, Schenk, L, Groll, M, Hochberg, G.K.A, Bode, H.B.
Deposit date:2022-12-06
Release date:2023-12-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Evolution-inspired engineering of nonribosomal peptide synthetases.
Science, 383, 2024
2DJ7
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BU of 2dj7 by Molmil
Solution Structure of 3rd LIM Domain of Actin-binding LIM Protein 3
Descriptor: Actin-binding LIM protein 3, ZINC ION
Authors:Niraula, T.N, Sasagawa, A, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-03-31
Release date:2006-10-01
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution Structure of 3rd LIM Domain of Actin-binding LIM Protein 3
To be Published
5M2B
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BU of 5m2b by Molmil
Yeast 20S proteasome with human beta5i (1-138) and human beta6 (97-111; 118-133) in complex with thiazole based inhibitor Ro19
Descriptor: (2~{S})-2-cyclohexyl-4-oxidanylidene-4-[[7-(4-phenyl-1,3-thiazol-2-yl)quinolin-2-yl]amino]butanoic acid, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Groll, M.
Deposit date:2016-10-12
Release date:2017-01-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Elucidation of a Nonpeptidic Inhibitor Specific for the Human Immunoproteasome.
Chembiochem, 18, 2017
9GBK
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BU of 9gbk by Molmil
Blm10-20S proteasome complex from pre1-1
Descriptor: Probable proteasome subunit alpha type-7, Proteasome activator BLM10, Proteasome subunit alpha type-1, ...
Authors:Mark, E, Ramos, P.C, Kayser, F, Hoeckendorff, J, Dohmen, R.J, Wendler, P.
Deposit date:2024-07-31
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (2.39 Å)
Cite:Structural roles of Ump1 and beta-subunit propeptides in proteasome biogenesis
To Be Published, 2024
5MPA
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BU of 5mpa by Molmil
26S proteasome in presence of ATP (s2)
Descriptor: 26S protease regulatory subunit 4 homolog, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B homolog, ...
Authors:Wehmer, M, Rudack, T, Beck, F, Aufderheide, A, Pfeifer, G, Plitzko, J.M, Foerster, F, Schulten, K, Baumeister, W, Sakata, E.
Deposit date:2016-12-16
Release date:2017-03-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural insights into the functional cycle of the ATPase module of the 26S proteasome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2ZCY
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BU of 2zcy by Molmil
yeast 20S proteasome:syringolin A-complex
Descriptor: (2S)-2-[[(2S)-1-[[(5S,8S,9E)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]amino]-3-methyl-1-oxo-butan-2-yl]carbamoylamino]-3-methyl-butanoic acid, Proteasome component C1, Proteasome component C11, ...
Authors:Groll, M, Dudler, R, Kaiser, M.
Deposit date:2007-11-15
Release date:2008-04-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A plant pathogen virulence factor inhibits the eukaryotic proteasome by a novel mechanism
Nature, 452, 2008
7TEO
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BU of 7teo by Molmil
Cryo-EM structure of the 20S Alpha 3 Deletion proteasome core particle in complex with FUB1
Descriptor: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-4, ...
Authors:Walsh Jr, R.M, Rawson, S, Schnell, H.M, Hanna, J.
Deposit date:2022-01-05
Release date:2022-08-10
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Yeast PI31 inhibits the proteasome by a direct multisite mechanism.
Nat.Struct.Mol.Biol., 29, 2022
7TEJ
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BU of 7tej by Molmil
Cryo-EM structure of the 20S Alpha 3 Deletion proteasome core particle
Descriptor: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-4, ...
Authors:Walsh Jr, R.M, Rawson, S, Schnell, H.M, Hanna, J.
Deposit date:2022-01-05
Release date:2022-08-10
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (2.74 Å)
Cite:Yeast PI31 inhibits the proteasome by a direct multisite mechanism.
Nat.Struct.Mol.Biol., 29, 2022

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