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9GOA
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BU of 9goa by Molmil
Pore state of alpha-Latrotoxin
Descriptor: Alpha-latrotoxin-Lt1a
Authors:Klink, B.U, Gatsogiannis, C, Kalyankumar, K.S.
Deposit date:2024-09-05
Release date:2024-10-16
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis of alpha-latrotoxin transition to a cation-selective pore.
Nat Commun, 15, 2024
7AOR
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BU of 7aor by Molmil
mt-SSU from Trypanosoma cruzi in complex with mt-IF-3.
Descriptor: 30S Ribosomal protein S17-like protein, AKAP7_NLS domain-containing protein, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Soufari, H, Waltz, F, Parrot, C, Bochler, A, Hashem, Y.
Deposit date:2020-10-15
Release date:2021-04-28
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of the mature kinetoplastids mitoribosome and insights into its large subunit biogenesis.
Proc.Natl.Acad.Sci.USA, 117, 2020
3E8E
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BU of 3e8e by Molmil
Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors
Descriptor: 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, PKI inhibitor peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P.
Deposit date:2008-08-19
Release date:2008-11-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
4HB1
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BU of 4hb1 by Molmil
A DESIGNED FOUR HELIX BUNDLE PROTEIN.
Descriptor: DHP1, UNKNOWN ATOM OR ION
Authors:Schafmeister, C.E, Laporte, S.L, Miercke, L.J.W, Stroud, R.M.
Deposit date:1997-11-10
Release date:1998-03-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A designed four helix bundle protein with native-like structure.
Nat.Struct.Biol., 4, 1997
2BEZ
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BU of 2bez by Molmil
Structure of a proteolitically resistant core from the severe acute respiratory syndrome coronavirus S2 fusion protein
Descriptor: GLYCEROL, Spike glycoprotein
Authors:Supekar, V.M, Bruckmann, C, Ingallinella, P, Bianchi, E, Pessi, A, Carfi, A.
Deposit date:2004-12-02
Release date:2004-12-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of a Proteolytically Resistant Core from the Severe Acute Respiratory Syndrome Coronavirus S2 Fusion Protein
Proc.Natl.Acad.Sci.USA, 101, 2004
6Q6Q
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BU of 6q6q by Molmil
Human aldehyde oxidase SNP G1269R
Descriptor: Aldehyde oxidase, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Mota, C, Coelho, C, Santos-Silva, T, Romao, M.J.
Deposit date:2018-12-11
Release date:2019-05-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.10003781 Å)
Cite:Human aldehyde oxidase (hAOX1): structure determination of the Moco-free form of the natural variant G1269R and biophysical studies of single nucleotide polymorphisms.
Febs Open Bio, 9, 2019
2J3V
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BU of 2j3v by Molmil
Crystal structure of the enzymatic component C2-I of the C2-toxin from Clostridium botulinum at pH 3.0
Descriptor: C2 TOXIN COMPONENT I, GLYCEROL, SULFATE ION
Authors:Schleberger, C, Hochmann, H, Barth, H, Aktories, K, Schulz, G.E.
Deposit date:2006-08-23
Release date:2006-10-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structure and Action of the Binary C2 Toxin from Clostridium Botulinum.
J.Mol.Biol., 364, 2006
2R1M
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BU of 2r1m by Molmil
OpdA from Agrobacterium radiobacter with bound product diethyl phosphate from crystal soaking with diethyl 4-methoxyphenyl phosphate (450h)- 2.5 A
Descriptor: 1,2-ETHANEDIOL, COBALT (II) ION, DIETHYL HYDROGEN PHOSPHATE, ...
Authors:Ollis, D.L, Jackson, C.J, Foo, J.L, Kim, H.K, Carr, P.D, Liu, J.W, Salem, G.
Deposit date:2007-08-23
Release date:2008-02-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:In crystallo capture of a Michaelis complex and product-binding modes of a bacterial phosphotriesterase
J.Mol.Biol., 375, 2008
7M6M
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BU of 7m6m by Molmil
Full length alpha1 Glycine receptor in presence of 32uM Tetrahydrocannabinol
Descriptor: (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor subunit alphaZ1
Authors:Kumar, A, Chakrapani, S.
Deposit date:2021-03-26
Release date:2022-08-03
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Structural basis for cannabinoid-induced potentiation of alpha1-glycine receptors in lipid nanodiscs.
Nat Commun, 13, 2022
7M6Q
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BU of 7m6q by Molmil
Full length alpha1 Glycine receptor in presence of 1mM Glycine and 32uM Tetrahydrocannabinol State 1
Descriptor: (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ...
Authors:Kumar, A, Chakrapani, S.
Deposit date:2021-03-26
Release date:2022-08-03
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Structural basis for cannabinoid-induced potentiation of alpha1-glycine receptors in lipid nanodiscs.
Nat Commun, 13, 2022
5SSA
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BU of 5ssa by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINClv000001jcNa - (r,r) isomer
Descriptor: Non-structural protein 3, [(1r,3r)-3-{[(thieno[2,3-c]pyridine-5-carbonyl)amino]methyl}cyclobutyl]acetic acid
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5VKD
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BU of 5vkd by Molmil
Crystal structure of C-terminal domain of Ebola (Bundibugyo) nucleoprotein in complex with Fab fragment
Descriptor: Fab Heavy Chain, Fab light chain, Nucleoprotein
Authors:Radwanska, M.J, Derewenda, U, Kossiakoff, A, Derewenda, Z.S.
Deposit date:2017-04-21
Release date:2018-04-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.749 Å)
Cite:The structure of the C-terminal domain of the nucleoprotein from the Bundibugyo strain of the Ebola virus in complex with a pan-specific synthetic Fab.
Acta Crystallogr D Struct Biol, 74, 2018
1CO8
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BU of 1co8 by Molmil
RECOMBINANT SPERM WHALE MYOGLOBIN L104A MUTANT (MET)
Descriptor: PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Liong, E.C, Phillips Jr, G.N.
Deposit date:1999-06-07
Release date:1999-06-14
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Waterproofing the heme pocket. Role of proximal amino acid side chains in preventing hemin loss from myoglobin.
J.Biol.Chem., 276, 2001
9DID
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BU of 9did by Molmil
Rous sarcoma virus frameshifting pseudoknot RNA
Descriptor: IRIDIUM HEXAMMINE ION, POTASSIUM ION, TRIS(HYDROXYETHYL)AMINOMETHANE, ...
Authors:Jones, C.P, Ferre-D'Amare, A.R.
Deposit date:2024-09-05
Release date:2025-04-09
Last modified:2025-04-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural switching dynamically controls the doubly pseudoknotted Rous sarcoma virus-programmed ribosomal frameshifting element.
Proc.Natl.Acad.Sci.USA, 122, 2025
7A01
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BU of 7a01 by Molmil
The Halastavi arva virus intergenic region IRES promotes translation by the simplest possible initiation mechanism
Descriptor: 18S RIBOSOMAL RNA, 28S RIBOSOMAL RNA, 40S RIBOSOMAL PROTEIN ES21, ...
Authors:Abaeva, I, Vicens, Q, Bochler, A, Soufari, H, Simonetti, A, Pestova, T.V, Hashem, Y, Hellen, C.U.T.
Deposit date:2020-08-05
Release date:2020-12-30
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:The Halastavi arva Virus Intergenic Region IRES Promotes Translation by the Simplest Possible Initiation Mechanism.
Cell Rep, 33, 2020
2JEK
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BU of 2jek by Molmil
Crystal structure of the conserved hypothetical protein Rv1873 from Mycobacterium tuberculosis at 1.38 A
Descriptor: GLYCEROL, RV1873, SULFATE ION
Authors:Garen, C.R, Cherney, M.M, Bergmann, E.M, James, M.N.G, TB Structural Genomics Consortium (TBSGC)
Deposit date:2007-01-17
Release date:2007-01-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:The Molecular Structure of Rv1873, a Conserved Hypothetical Protein from Mycobacterium Tuberculosis, at 1.38A Resolution
Acta Crystallogr.,Sect.F, 62, 2006
6VP8
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BU of 6vp8 by Molmil
Cryo-EM structure of the C-terminal half of the Parkinson's Disease-linked protein Leucine Rich Repeat Kinase 2 (LRRK2)
Descriptor: Leucine-rich repeat serine/threonine-protein kinase 2
Authors:Leschziner, A, Deniston, C, Lahiri, I.
Deposit date:2020-02-01
Release date:2020-08-26
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of LRRK2 in Parkinson's disease and model for microtubule interaction.
Nature, 588, 2020
4K06
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BU of 4k06 by Molmil
Crystal structure of MTX-II from Bothrops brazili venom complexed with polyethylene glycol
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, MTX-II, ...
Authors:Fernandes, C.A.H, Comparetti, E.J, Borges, R.J, Fontes, M.R.M.
Deposit date:2013-04-03
Release date:2013-11-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural bases for a complete myotoxic mechanism: Crystal structures of two non-catalytic phospholipases A2-like from Bothrops brazili venom.
Biochim.Biophys.Acta, 1834, 2013
7DXP
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BU of 7dxp by Molmil
Influenza H5N1 nucleoprotein in complex with nucleotides
Descriptor: 1,2-ETHANEDIOL, Nucleoprotein, RNA (5'-R(P*(OMU)P*(OMU)P*(OMU)P*(OMU))-3')
Authors:Tang, Y.S, Xu, S, Chen, Y.W, Wang, J.H, Shaw, P.C.
Deposit date:2021-01-19
Release date:2021-04-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of influenza nucleoprotein complexed with nucleic acid provide insights into the mechanism of RNA interaction.
Nucleic Acids Res., 49, 2021
1IC6
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BU of 1ic6 by Molmil
STRUCTURE OF A SERINE PROTEASE PROTEINASE K FROM TRITIRACHIUM ALBUM LIMBER AT 0.98 A RESOLUTION
Descriptor: CALCIUM ION, NITRATE ION, PROTEINASE K
Authors:Betzel, C, Gourinath, S, Kumar, P, Kaur, P, Perbandt, M, Eschenburg, S, Singh, T.P.
Deposit date:2001-03-30
Release date:2001-04-11
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Structure of a serine protease proteinase K from Tritirachium album limber at 0.98 A resolution.
Biochemistry, 40, 2001
3SSW
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BU of 3ssw by Molmil
E. coli trp aporepressor
Descriptor: Trp operon repressor
Authors:Benoff, B, Carey, J, Berman, H.M, Lawson, C.L.
Deposit date:2011-07-08
Release date:2011-07-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6693 Å)
Cite:Environment-dependent long-range structural distortion in a temperature-sensitive point mutant.
Protein Sci., 21, 2012
8G45
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BU of 8g45 by Molmil
Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with SGC-UBD253 chemical probe
Descriptor: 3-[8-chloro-3-(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl]propanoic acid, Histone deacetylase 6, ZINC ION
Authors:Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2023-02-08
Release date:2023-05-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6.
J.Med.Chem., 66, 2023
4K8M
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BU of 4k8m by Molmil
High resolution structure of M.tb NRDH
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Phulera, S, Mande, S.C.
Deposit date:2013-04-18
Release date:2014-06-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (0.87 Å)
Cite:The crystal structure of Mycobacterium tuberculosis NrdH at 0.87 angstrom suggests a possible mode of its activity.
Biochemistry, 52, 2013
5AMO
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BU of 5amo by Molmil
Structure of a mouse Olfactomedin-1 disulfide-linked dimer of the Olfactomedin domain and part of the coiled coil
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Pronker, M.F, Bos, T.G.A.A, Sharp, T.H, Thies-Weesie, D.M, Janssen, B.J.C.
Deposit date:2015-03-11
Release date:2015-04-29
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Olfactomedin-1 Has a V-Shaped Disulfide-Linked Tetrameric Structure.
J.Biol.Chem., 290, 2015
4K09
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BU of 4k09 by Molmil
Crystal structure of BbTX-II from Bothrops brazili venom
Descriptor: BbTX-II
Authors:Fernandes, C.A.H, Comparetti, E.J, Borges, R.J, Fontes, M.R.M.
Deposit date:2013-04-03
Release date:2013-11-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.107 Å)
Cite:Structural bases for a complete myotoxic mechanism: Crystal structures of two non-catalytic phospholipases A2-like from Bothrops brazili venom.
Biochim.Biophys.Acta, 1834, 2013

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