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6YN3
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BU of 6yn3 by Molmil
Thrombin in complex with 4-hydroxybenzamide (j89)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-HYDROXYBENZAMIDE, DIMETHYL SULFOXIDE, ...
Authors:Scanlan, W, Heine, A, Klebe, G, Abazi, N.
Deposit date:2020-04-10
Release date:2021-04-21
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Thrombin in complex with 4-hydroxybenzamide (j89)
To be published
5CVE
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BU of 5cve by Molmil
Crystal Structure of human NRMT1 in complex with dimethylated fly H2B peptide and SAH
Descriptor: N-terminal Xaa-Pro-Lys N-methyltransferase 1, N-terminal peptide from Histone H2B, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Wu, R, Li, H.
Deposit date:2015-07-26
Release date:2015-11-25
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular basis for histone N-terminal methylation by NRMT1
Genes Dev., 29, 2015
7RSK
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BU of 7rsk by Molmil
The crystal structure from microfluidic crystals of glycosyl hydrolase family 2 (GH2) member from Bacteroides cellulosilyticus
Descriptor: Glycosyl hydrolase family 2, sugar binding domain protein
Authors:Kim, Y, Nocek, B, Endres, M, Joachimiak, G, Johnson, J, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2021-08-11
Release date:2021-08-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure from microfluidic crystals of glycosyl hydrolase family 2 (GH2) member from Bacteroides cellulosilyticus
To Be Published
5CWH
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BU of 5cwh by Molmil
Crystal structure of de novo designed helical repeat protein DHR14
Descriptor: 1,2-ETHANEDIOL, Designed helical repeat protein
Authors:Bhabha, G, Ekiert, D.C.
Deposit date:2015-07-28
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
4V4O
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BU of 4v4o by Molmil
Crystal Structure of the Chaperonin Complex Cpn60/Cpn10/(ADP)7 from Thermus Thermophilus
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Shimamura, T, Koike-Takeshita, A, Yokoyama, K, Masui, R, Murai, N, Yoshida, M, Taguchi, H, Iwata, S.
Deposit date:2004-05-23
Release date:2014-07-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the native chaperonin complex from Thermus thermophilus revealed unexpected asymmetry at the cis-cavity
STRUCTURE, 12, 2004
5XEZ
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BU of 5xez by Molmil
Structure of the Full-length glucagon class B G protein-coupled receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide, ...
Authors:Zhang, H, Qiao, A, Yang, D, Yang, L, Dai, A, de Graaf, C, Reedtz-Runge, S, Dharmarajan, V, Zhang, H, Han, G.W, Grant, T, Sierra, R, Weierstall, U, Nelson, G, Liu, W, Wu, Y, Ma, L, Cai, X, Lin, G, Wu, X, Geng, Z, Dong, Y, Song, G, Griffin, P, Lau, J, Cherezov, V, Yang, H, Hanson, M, Stevens, R, Jiang, H, Wang, M, Zhao, Q, Wu, B.
Deposit date:2017-04-06
Release date:2017-05-24
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the full-length glucagon class B G-protein-coupled receptor.
Nature, 546, 2017
4UQV
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BU of 4uqv by Molmil
methanococcus jannaschii serine hydroxymethyl-transferase in complex with PLP
Descriptor: PYRIDOXAL-5'-PHOSPHATE, SERINE HYDROXYMETHYLTRANSFERASE
Authors:Saccoccia, F, Angelucci, F, Ilari, A.
Deposit date:2014-06-25
Release date:2014-07-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Crystal Structure of Archaeal Serine Hydroxymethyltransferase Reveals Idiosyncratic Features Likely Required to Withstand High Temperatures.
Proteins, 82, 2014
5CXV
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BU of 5cxv by Molmil
Structure of the human M1 muscarinic acetylcholine receptor bound to antagonist Tiotropium
Descriptor: (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, 1,2-ETHANEDIOL, CHOLESTEROL HEMISUCCINATE, ...
Authors:Sun, B, Feng, D, Li, X, Kobilka, T.S, Kobilka, B.K.
Deposit date:2015-07-29
Release date:2016-03-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of the M1 and M4 muscarinic acetylcholine receptors.
Nature, 531, 2016
6YMP
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BU of 6ymp by Molmil
Thrombin in complex with 3-((5-(tert-butyl)isoxazol-3-yl)methyl)oxetan-3-amine (j54)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine, DIMETHYL SULFOXIDE, ...
Authors:Scanlan, W, Heine, A, Klebe, G, Abazi, N.
Deposit date:2020-04-09
Release date:2021-04-21
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Thrombin in complex with 3-((5-(tert-butyl)isoxazol-3-yl)methyl)oxetan-3-amine (j54)
To be published
4V5I
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BU of 4v5i by Molmil
Structure of the Phage P2 Baseplate in its Activated Conformation with Ca
Descriptor: CALCIUM ION, ORF15, ORF16, ...
Authors:Sciara, G, Bebeacua, C, Bron, P, Tremblay, D, Ortiz-Lombardia, M, Lichiere, J, van Heel, M, Campanacci, V, Moineau, S, Cambillau, C.
Deposit date:2010-02-05
Release date:2014-07-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (5.464 Å)
Cite:Structure of Lactococcal Phage P2 Baseplate and its Mechanism of Activation.
Proc.Natl.Acad.Sci.USA, 107, 2010
5CYI
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BU of 5cyi by Molmil
CDK2/Cyclin A covalent complex with 6-(cyclohexylmethoxy)-N-(4-(vinylsulfonyl)phenyl)-9H-purin-2-amine (NU6300)
Descriptor: 6-(cyclohexylmethoxy)-N-[4-(ethylsulfonyl)phenyl]-9H-purin-2-amine, Cyclin-A2, Cyclin-dependent kinase 2
Authors:Anscombe, E, Meschini, E, Vidal, R.M, Martin, M.P, Staunton, D, Geitmann, M, Danielson, U.H, Stanley, W.A, Wang, L.Z, Reuillon, T, Golding, B.T, Cano, C, Newell, D.R, Noble, M.E.M, Wedge, S.R, Endicott, J.A, Griffin, R.J.
Deposit date:2015-07-30
Release date:2015-09-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification and Characterization of an Irreversible Inhibitor of CDK2.
Chem.Biol., 22, 2015
5D11
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BU of 5d11 by Molmil
Kinase domain of cSrc in complex with RL235
Descriptor: GLYCEROL, N-[3-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src
Authors:Becker, C, Gruetter, C, Engel, J, Rauh, D.
Deposit date:2015-08-03
Release date:2015-09-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach.
J.Med.Chem., 58, 2015
5XGR
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BU of 5xgr by Molmil
Structure of the S1 subunit C-terminal domain from bat-derived coronavirus HKU5 spike protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1
Authors:Xue, H, Qi, J, Song, H, Qihui, W, Shi, Y, Gao, G.F.
Deposit date:2017-04-16
Release date:2017-05-10
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the S1 subunit C-terminal domain from bat-derived coronavirus HKU5 spike protein
Virology, 507, 2017
7RN1
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BU of 7rn1 by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun9-62-2R
Descriptor: 3C-like proteinase, GLYCEROL, N-([1,1'-biphenyl]-4-yl)-2-chloro-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide, ...
Authors:Sacco, M, Chen, Y.
Deposit date:2021-07-28
Release date:2021-09-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity.
J.Am.Chem.Soc., 143, 2021
4UYU
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BU of 4uyu by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM - CRYSTAL FORM I IODIDE COMPLEX - 2.3A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, IODIDE ION, ...
Authors:Zebisch, M, Jones, E.Y.
Deposit date:2014-09-03
Release date:2015-02-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Notum Deacylates Wnt Proteins to Suppress Signalling Activity.
Nature, 519, 2015
5DGF
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BU of 5dgf by Molmil
Complex of yeast 80S ribosome with hypusine-containing/non-modified eIF5A and/or a peptidyl-tRNA analog
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
Authors:Melnikov, S, Mailliot, J, Shin, B.-S, Rigger, L, Yusupova, G, Micura, R, Dever, T.E, Yusupov, M.
Deposit date:2015-08-27
Release date:2016-12-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Coping with proline stalling: structural basis of hypusine-induced protein synthesis by the eukaryotic ribosome
To Be Published
7RZC
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BU of 7rzc by Molmil
Papain-Like Protease of SARS CoV-2 in complex with Jun9-84-3 inhibitor
Descriptor: (1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Osipiuk, J, Tesar, C, Endres, M, Wang, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-08-27
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Papain-Like Protease of SARS CoV-2 in complex with Jun9-84-3 inhibitor
To be Published
5CQ4
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BU of 5cq4 by Molmil
Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 3'-Hydroxyacetophenone (SGC - Diamond I04-1 fragment screening)
Descriptor: 1,2-ETHANEDIOL, 1-(3-hydroxyphenyl)ethanone, Bromodomain adjacent to zinc finger domain protein 2B, ...
Authors:Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-07-21
Release date:2015-09-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.782 Å)
Cite:Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with 3'-Hydroxyacetophenone (SGC - Diamond I04-1 fragment screening)
To be published
5CQP
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BU of 5cqp by Molmil
GTB mutant with mercury - E303Q
Descriptor: Histo-blood group ABO system transferase, MERCURY (II) ION
Authors:Gagnon, S.M.L, Blackler, R.J.
Deposit date:2015-07-21
Release date:2016-10-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Glycosyltransfer in mutants of putative catalytic residue Glu303 of the human ABO(H) A and B blood group glycosyltransferases GTA and GTB proceeds through a labile active site.
Glycobiology, 27, 2017
4V43
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BU of 4v43 by Molmil
Structural and mechanistic basis for allostery in the bacterial chaperonin GroEL
Descriptor: GROEL PROTEIN
Authors:Wang, J.
Deposit date:2002-01-02
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.52 Å)
Cite:A GroEL/GroES complex structure revisited: the structure-based mechanism of ATP hydrolysis
To be Published
4V4K
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BU of 4v4k by Molmil
Bacteriophage P22 Portal Protein bound to middle Tail Factor GP4. This file contain the second biological assembly
Descriptor: PACKAGED DNA STABILIZATION PROTEIN GP4, PORTAL PROTEIN
Authors:Olia, A.S, Cingolani, G.
Deposit date:2010-04-19
Release date:2014-07-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.251 Å)
Cite:Three-dimensional structure of a viral genome-delivery portal vertex.
Nat.Struct.Mol.Biol., 18, 2011
5D1K
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BU of 5d1k by Molmil
Crystal Structure of UbcH5B in Complex with the RING-U5BR Fragment of AO7
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase RNF25, ...
Authors:Liang, Y.-H, Li, S, Weissman, A.M, Ji, X.
Deposit date:2015-08-04
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Insights into Ubiquitination from the Unique Clamp-like Binding of the RING E3 AO7 to the E2 UbcH5B.
J.Biol.Chem., 290, 2015
5D1S
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BU of 5d1s by Molmil
Anthrax toxin lethal factor with hydroxamic acid inhibitor
Descriptor: Lethal factor, N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-methyl-D-alaninamide, ZINC ION
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2015-08-04
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Probing the S2' Subsite of the Anthrax Toxin Lethal Factor Using Novel N-Alkylated Hydroxamates.
J.Med.Chem., 58, 2015
4V51
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BU of 4v51 by Molmil
Structure of the Thermus thermophilus 70S ribosome complexed with mRNA, tRNA and paromomycin
Descriptor: 16S ribosomal RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Selmer, M, Dunham, C.M, Murphy, F.V, Weixlbaumer, A, Petry, S, Weir, J.R, Kelley, A.C, Ramakrishnan, V.
Deposit date:2006-07-31
Release date:2014-07-09
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the 70S ribosome complexed with mRNA and tRNA.
Science, 313, 2006
6YQV
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BU of 6yqv by Molmil
Thrombin in complex with 5-chlorothiophene-2-sulfonamide (j94)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-chloranylthiophene-2-sulfonamide, DIMETHYL SULFOXIDE, ...
Authors:Scanlan, W, Heine, A, Klebe, G, Abazi, N.
Deposit date:2020-04-18
Release date:2021-04-28
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Thrombin in complex with 5-chlorothiophene-2-sulfonamide (j94)
To be published

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