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7P9J
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BU of 7p9j by Molmil
Prim-Pol Domain of CRISPR-associated Prim-Pol (CAPP) from Marinitoga sp. 1137 - Primer Initiation Complex
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, COBALT (II) ION, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Li, A.W.H, Doherty, A.J.
Deposit date:2021-07-27
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular basis for the initiation of DNA primer synthesis.
Nature, 605, 2022
6A0F
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BU of 6a0f by Molmil
Crystal structure of human protein N-terminal asparagine amidohydrolase (NTAN1) C75S mutant with Asn-Phe-Ala-Ala-Arg peptide
Descriptor: 5-mer peptide Asn-Phe-Ala-Ala-Arg, GLYCEROL, PHOSPHATE ION, ...
Authors:Park, J.S, Han, B.W.
Deposit date:2018-06-05
Release date:2019-12-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.384 Å)
Cite:Structural Analyses on the Deamidation of N-Terminal Asn in the Human N-Degron Pathway.
Biomolecules, 10, 2020
6A0I
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BU of 6a0i by Molmil
Crystal structure of human protein N-terminal asparagine amidohydrolase (NTAN1) C75S mutant
Descriptor: GLYCEROL, PHOSPHATE ION, Protein N-terminal asparagine amidohydrolase
Authors:Park, J.S, Han, B.W.
Deposit date:2018-06-05
Release date:2019-12-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Structural Analyses on the Deamidation of N-Terminal Asn in the Human N-Degron Pathway.
Biomolecules, 10, 2020
6A0E
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BU of 6a0e by Molmil
Crystal structure of human protein N-terminal asparagine amidohydrolase (NTAN1)
Descriptor: GLYCEROL, PHOSPHATE ION, Protein N-terminal asparagine amidohydrolase
Authors:Park, J.S, Han, B.W.
Deposit date:2018-06-05
Release date:2019-12-11
Last modified:2020-06-24
Method:X-RAY DIFFRACTION (1.947 Å)
Cite:Structural Analyses on the Deamidation of N-Terminal Asn in the Human N-Degron Pathway.
Biomolecules, 10, 2020
4DSH
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BU of 4dsh by Molmil
Crystal structure of reduced UDP-Galactopyranose mutase
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ...
Authors:Dhatwalia, R, Singh, H, Tanner, J.J.
Deposit date:2012-02-18
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structures of Trypanosoma cruzi UDP-Galactopyranose Mutase Implicate Flexibility of the Histidine Loop in Enzyme Activation.
Biochemistry, 51, 2012
8R5I
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BU of 8r5i by Molmil
In situ structure of the Vaccinia virus (WR) A4/A10 palisade trimer in mature virions by flexible fitting into a cryoET map
Descriptor: Core protein A10, Core protein A4
Authors:Calcraft, T, Hernandez-Gonzalez, M, Nans, A, Rosenthal, P.B, Way, M.
Deposit date:2023-11-16
Release date:2024-01-10
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (9.7 Å)
Cite:Palisade structure in intact vaccinia virions.
Mbio, 15, 2024
4DDM
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BU of 4ddm by Molmil
Pantothenate synthetase in complex with 2,1,3-benzothiadiazole-5-carboxylic acid
Descriptor: 1,2-ETHANEDIOL, 2,1,3-benzothiadiazole-5-carboxylic acid, ETHANOL, ...
Authors:Silvestre, H.L.
Deposit date:2012-01-18
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.
Proc.Natl.Acad.Sci.USA, 110, 2013
4DBG
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BU of 4dbg by Molmil
Crystal structure of HOIL-1L-UBL complexed with a HOIP-UBA derivative
Descriptor: RING finger protein 31, RanBP-type and C3HC4-type zinc finger-containing protein 1
Authors:Yagi, H, Hiromoto, T, Mizushima, T, Kurimoto, E, Kato, K.
Deposit date:2012-01-15
Release date:2012-04-04
Last modified:2012-05-16
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:A non-canonical UBA-UBL interaction forms the linear-ubiquitin-chain assembly complex
Embo Rep., 13, 2012
8QNV
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BU of 8qnv by Molmil
Folded alpha helical de novo proteins from Apilactobacillus kunkeei
Descriptor: Transposase
Authors:Celestine, C.
Deposit date:2023-09-27
Release date:2024-02-21
Last modified:2024-03-27
Method:SOLUTION NMR
Cite:Folded Alpha Helical Putative New Proteins from Apilactobacillus kunkeei.
J.Mol.Biol., 436, 2024
8QNJ
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BU of 8qnj by Molmil
Folded alpha helical de novo proteins from Apilactobacillus kunkeei
Descriptor: Lenovo Protein
Authors:Celestine, C.
Deposit date:2023-09-26
Release date:2024-02-21
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Folded Alpha Helical Putative New Proteins from Apilactobacillus kunkeei.
J.Mol.Biol., 436, 2024
8QNT
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BU of 8qnt by Molmil
Folded alpha helical de novo proteins from Apilactobacillus kunkeei
Descriptor: Transposase
Authors:Celestine, C.
Deposit date:2023-09-27
Release date:2024-02-21
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Folded Alpha Helical Putative New Proteins from Apilactobacillus kunkeei.
J.Mol.Biol., 436, 2024
4DMX
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BU of 4dmx by Molmil
Cathepsin K inhibitor
Descriptor: (1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide, Cathepsin K, GLYCEROL
Authors:Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M.
Deposit date:2012-02-08
Release date:2012-07-11
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:(1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis.
J.Med.Chem., 55, 2012
7QKB
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BU of 7qkb by Molmil
Crystal structure of human Cathepsin L in complex with covalently bound GC376
Descriptor: CHLORIDE ION, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
Authors:Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
Deposit date:2021-12-17
Release date:2022-12-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
4DMY
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BU of 4dmy by Molmil
Cathepsin K inhibitor
Descriptor: (1R,2R)-N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide, Cathepsin K, GLYCEROL, ...
Authors:Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M.
Deposit date:2012-02-08
Release date:2012-07-11
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:(1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis.
J.Med.Chem., 55, 2012
7QKD
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BU of 7qkd by Molmil
Crystal structure of human Cathepsin L in complex with covalently bound MG132
Descriptor: ACETATE ION, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
Authors:Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
Deposit date:2021-12-17
Release date:2022-12-28
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 2024
7QKC
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BU of 7qkc by Molmil
Crystal structure of human Cathepsin L after incubation with Sulfo-Calpeptin
Descriptor: Calpeptin, Cathepsin L, DI(HYDROXYETHYL)ETHER
Authors:Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
Deposit date:2021-12-17
Release date:2022-12-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
8R5K
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BU of 8r5k by Molmil
The Fk1 domain of FKBP51 in complex with Antascomicine B
Descriptor: Antascomicine B, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Voll, M.A, Bracher, A, Hausch, F.
Deposit date:2023-11-16
Release date:2024-05-08
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Antascomicin B stabilizes FKBP51-Akt1 complexes as a molecular glue.
Bioorg.Med.Chem.Lett., 104, 2024
4DQ5
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BU of 4dq5 by Molmil
Structural Investigation of Bacteriophage Phi6 Lysin (WT)
Descriptor: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, Membrane protein Phi6 P5wt
Authors:Dessau, M.A, Modis, Y.
Deposit date:2012-02-15
Release date:2013-01-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.395 Å)
Cite:Selective pressure causes an RNA virus to trade reproductive fitness for increased structural and thermal stability of a viral enzyme.
PLoS Genet, 8, 2012
4DVE
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BU of 4dve by Molmil
Crystal structure at 2.1 A of the S-component for biotin from an ECF-type ABC transporter
Descriptor: BIOTIN, Biotin transporter BioY, nonyl beta-D-glucopyranoside
Authors:Berntsson, R.P.-A, ter Beek, J, Majsnerowska, M, Duurkens, R, Puri, P, Poolman, B, Slotboom, D.J.
Deposit date:2012-02-23
Release date:2012-08-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural divergence of paralogous S components from ECF-type ABC transporters.
Proc.Natl.Acad.Sci.USA, 109, 2012
4DOZ
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BU of 4doz by Molmil
Crystal structure of Pyrococcus furiosus Cmr2 (Cas10)
Descriptor: Putative uncharacterized protein, ZINC ION
Authors:Zhu, X, Ye, K.
Deposit date:2012-02-12
Release date:2012-03-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of Cmr2 suggests a nucleotide cyclase-related enzyme in type III CRISPR-Cas systems
Febs Lett., 586, 2012
4DZ7
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BU of 4dz7 by Molmil
hCA II in complex with novel sulfonamide inhibitors Set D
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ...
Authors:Aggarwal, M, McKenna, R.
Deposit date:2012-02-29
Release date:2013-03-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.491 Å)
Cite:hCA II in complex with novel sulfonamide inhibitors Set D
To be Published
4DDK
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BU of 4ddk by Molmil
Pantothenate synthetase in complex with 1,3-benzodioxole-5-carboxylic acid
Descriptor: 1,2-ETHANEDIOL, 1,3-benzodioxole-5-carboxylic acid, ETHANOL, ...
Authors:Silvestre, H.L.
Deposit date:2012-01-18
Release date:2013-02-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.
Proc.Natl.Acad.Sci.USA, 110, 2013
1VBP
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BU of 1vbp by Molmil
Crystal structure of artocarpin-mannopentose complex
Descriptor: SULFATE ION, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose, ...
Authors:Jeyaprakash, A.A, Srivastav, A, Surolia, A, Vijayan, M.
Deposit date:2004-02-28
Release date:2004-06-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural basis for the carbohydrate specificities of artocarpin: variation in the length of a loop as a strategy for generating ligand specificity
J.Mol.Biol., 338, 2004
6UEL
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BU of 6uel by Molmil
CPS1 bound to allosteric inhibitor H3B-193
Descriptor: Carbamoyl-phosphate synthase [ammonia], mitochondrial, N~1~-[(4-fluorophenyl)methyl]-N~1~-methyl-N~4~-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide, ...
Authors:Larsen, N.A, Nguyen, T.V.
Deposit date:2019-09-21
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Small Molecule Inhibition of CPS1 Activity through an Allosteric Pocket.
Cell Chem Biol, 27, 2020
7BHP
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BU of 7bhp by Molmil
Cryo-EM structure of the human Ebp1 - 80S ribosome
Descriptor: 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Desogus, J, Bhaskar, V, Chao, J.A.
Deposit date:2021-01-11
Release date:2021-02-03
Last modified:2021-03-31
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Dynamic association of human Ebp1 with the ribosome.
Rna, 27, 2021

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