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5KOZ
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BU of 5koz by Molmil
Structure function studies of R. palustris RubisCO (K192C mutant; CABP-bound)
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, CARBONATE ION, MAGNESIUM ION, ...
Authors:Arbing, M.A, North, J.A, Satagopan, S, Tabita, F.R.
Deposit date:2016-07-01
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure function studies of R. palustris RubisCO.
To Be Published
4U5F
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BU of 4u5f by Molmil
Crystal structure of GluA2, con-ikot-ikot snail toxin, partial agonist KA and postitive modulator (R,R)-2b complex, GluA2cryst2 construct
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Con-ikot-ikot, ...
Authors:Chen, L, Gouaux, E.
Deposit date:2014-07-24
Release date:2014-08-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism.
Science, 345, 2014
5IHC
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BU of 5ihc by Molmil
MELK in complex with NVS-MELK12B
Descriptor: 4-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine, Maternal embryonic leucine zipper kinase
Authors:Sprague, E.R, Brazell, T.
Deposit date:2016-02-29
Release date:2016-06-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
5IHE
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BU of 5ihe by Molmil
D-family DNA polymerase - DP1 subunit (3'-5' proof-reading exonuclease)
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, ACETATE ION, ...
Authors:Sauguet, L, Raia, P, De Larue, M.
Deposit date:2016-02-29
Release date:2016-08-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Shared active site architecture between archaeal PolD and multi-subunit RNA polymerases revealed by X-ray crystallography.
Nat Commun, 7, 2016
4YIS
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BU of 4yis by Molmil
Crystal Structure of LAGLIDADG Meganuclease I-CpaMI Bound to Uncleaved DNA
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DNA (28-MER), ...
Authors:Hallinan, J.P, Kaiser, B.K, Stoddard, B.L.
Deposit date:2015-03-02
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Indirect DNA Sequence Recognition and Its Impact on Nuclease Cleavage Activity.
Structure, 24, 2016
4UI1
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BU of 4ui1 by Molmil
Crystal structure of the human RGMC-BMP2 complex
Descriptor: 1,2-ETHANEDIOL, BONE MORPHOGENETIC PROTEIN 2, CHLORIDE ION, ...
Authors:Healey, E.G, Bishop, B, Elegheert, J, Bell, C.H, Padilla-Parra, S, Siebold, C.
Deposit date:2015-03-27
Release date:2015-05-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Repulsive Guidance Molecule is a Structural Bridge between Neogenin and Bone Morphogenetic Protein.
Nat.Struct.Mol.Biol., 22, 2015
5FD5
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BU of 5fd5 by Molmil
manganese uptake regulator
Descriptor: 1,2-ETHANEDIOL, Ferric uptake regulation protein, SULFATE ION
Authors:Bellini, D, Lebedev, A, Keegan, R, Walsh, M.A.
Deposit date:2015-12-15
Release date:2016-12-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structure of an apo metal-free manganese uptake regulator, mur
To Be Published
8AAD
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BU of 8aad by Molmil
Two carbons pendant pyridine derivative of the natural alkaloid Berberine as Human Telomeric G-quadruplex Binder
Descriptor: 16,17-dimethoxy-21-(2-pyridin-4-ylethyl)-5,7-dioxa-13$l^{4}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(13),2,4(8),9,14,16,18,20-octaene, DNA TAGGGTTAGGGT, POTASSIUM ION
Authors:Ferraroni, M, Bazzicalupi, C, Gratteri, P, Papi, F.
Deposit date:2022-07-01
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Probing the Efficiency of 13-Pyridylalkyl Berberine Derivatives to Human Telomeric G-Quadruplexes Binding: Spectroscopic, Solid State and In Silico Analysis.
Int J Mol Sci, 23, 2022
7ZUR
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BU of 7zur by Molmil
Four carbons pendant pyridine derivative of the natural alkaloid Berberine as Human Telomeric G-quadruplex Binder
Descriptor: 16,17-dimethoxy-21-(4-pyridin-4-ylbutyl)-5,7-dioxa-13$l^{4}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2(10),3,8,13,15,17,19-octaene, DNA TAGGGTTAGGGT, POTASSIUM ION
Authors:Bazzicalupi, C, Ferraroni, M, Gratteri, P, Papi, F.
Deposit date:2022-05-13
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Probing the Efficiency of 13-Pyridylalkyl Berberine Derivatives to Human Telomeric G-Quadruplexes Binding: Spectroscopic, Solid State and In Silico Analysis.
Int J Mol Sci, 23, 2022
4UJ6
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BU of 4uj6 by Molmil
Structure of surface layer protein SbsC, domains 1-6
Descriptor: SURFACE LAYER PROTEIN
Authors:Dordic, A, Pavkov-Keller, T, Eder, M, Egelseer, E.M, Davis, K, Mills, D, Sleytr, U.B, Kuehlbrandt, W, Vonck, J, Keller, W.
Deposit date:2015-04-08
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure of Surface Layer Protein Sbsc, Domains 1-6
To be Published
9NSU
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BU of 9nsu by Molmil
Bacterial Pictet-Spenglerase KslB in complex with product of L-Trp and succinic semialdehyde
Descriptor: (1S,3S)-1-(2-carboxyethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid, Pictet-Spenglerase
Authors:Kim, K, Kim, W.
Deposit date:2025-03-17
Release date:2025-04-23
Last modified:2025-06-18
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Structural and mechanistic insights into KslB, a bacterial Pictet-Spenglerase in kitasetaline biosynthesis.
Rsc Chem Biol, 6, 2025
7WM7
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BU of 7wm7 by Molmil
Threonyl-tRNA synthetase from Salmonella enterica in complex with an inhibitor
Descriptor: (2S,3R)-2-azanyl-N-[5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl]-3-oxidanyl-N-[[3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)phenyl]methyl]butanamide, Threonine--tRNA ligase, ZINC ION
Authors:Cai, Z, Chen, B, Yu, Y, Zhou, H.
Deposit date:2022-01-14
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design, Synthesis, and Proof-of-Concept of Triple-Site Inhibitors against Aminoacyl-tRNA Synthetases.
J.Med.Chem., 65, 2022
7K9D
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BU of 7k9d by Molmil
Crystal structure of Bacillus halodurans OapB in complex with its OLE RNA target (crystal form I)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COBALT HEXAMMINE(III), ...
Authors:Yang, Y, Breaker, R.R.
Deposit date:2020-09-29
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:Structure of a bacterial OapB protein with its OLE RNA target gives insights into the architecture of the OLE ribonucleoprotein complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
5L7R
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BU of 5l7r by Molmil
Crystal structure of BvGH123
Descriptor: 1,2-ETHANEDIOL, glycoside hydrolase
Authors:Roth, C, Petricevic, M, John, A, Goddard-Borger, E.D, Davies, G.J, Williams, S.J.
Deposit date:2016-06-03
Release date:2017-03-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and mechanistic insights into a Bacteroides vulgatus retaining N-acetyl-beta-galactosaminidase that uses neighbouring group participation.
Chem. Commun. (Camb.), 52, 2016
7WLI
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BU of 7wli by Molmil
CryoEM structure of human low-voltage activated T-type calcium channel CaV3.3 (apo)
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y.
Deposit date:2022-01-13
Release date:2022-05-04
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure, gating, and pharmacology of human Ca V 3.3 channel.
Nat Commun, 13, 2022
2V6W
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BU of 2v6w by Molmil
tRNASer acceptor stem: Conformation and hydration of a microhelix in a crystal structure at 1.8 Angstrom resolution
Descriptor: 5'-R(*GP*GP*AP*GP*AP*GP*AP)-3', 5'-R(*UP*CP*UP*CP*UP*CP*CP)-3'
Authors:Foerster, C, Brauer, A.B.E, Brode, S, Fuerste, J.P, Betzel, C, Erdmann, V.A.
Deposit date:2007-07-23
Release date:2007-11-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Trnaser Acceptor Stem: Conformation and Hydration of a Microhelix in a Crystal Structure at 1.8 A Resolution.
Acta Crystallogr.,Sect.D, 63, 2007
4YL5
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BU of 4yl5 by Molmil
Structure of a putative phosphomethylpyrimidine kinase from Acinetobacter baumannii
Descriptor: 1,2-ETHANEDIOL, Putative phosphomethylpyrimidine kinase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-03-04
Release date:2015-04-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Characterization of an Acinetobacter baumannii Monofunctional Phosphomethylpyrimidine Kinase That Is Inhibited by Pyridoxal Phosphate.
Biochemistry, 2024
7NLJ
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BU of 7nlj by Molmil
Complex of rice blast (Magnaporthe oryzae) effector protein APikL2A with host target sHMA25 from Setaria italica
Descriptor: 1,2-ETHANEDIOL, APikL2A, sHMA25
Authors:Bentham, A.R, Banfield, M.J.
Deposit date:2021-02-22
Release date:2021-03-24
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A single amino acid polymorphism in a conserved effector of the multihost blast fungus pathogen expands host-target binding spectrum.
Plos Pathog., 17, 2021
7NMM
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BU of 7nmm by Molmil
Complex of rice blast (Magnaporthe oryzae) effector protein APikL2F with the host target sHMA94 from Setaria italica
Descriptor: 1,2-ETHANEDIOL, APikL2F, CHLORIDE ION, ...
Authors:Bentham, A.R, Banfield, M.J.
Deposit date:2021-02-23
Release date:2021-03-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A single amino acid polymorphism in a conserved effector of the multihost blast fungus pathogen expands host-target binding spectrum.
Plos Pathog., 17, 2021
6BEI
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BU of 6bei by Molmil
Crystal structure of VACV D13 in its apo (unbound) form
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, Scaffold protein D13
Authors:Garriga, D, Accurso, C, Coulibaly, F.
Deposit date:2017-10-25
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structural basis for the inhibition of poxvirus assembly by the antibiotic rifampicin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
1B44
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BU of 1b44 by Molmil
CRYSTAL STRUCTURE OF THE B SUBUNIT OF HEAT-LABILE ENTEROTOXIN FROM E. COLI CARRYING A PEPTIDE WITH ANTI-HSV ACTIVITY
Descriptor: PROTEIN (B-POL SUBUNIT OF HEAT-LABILE ENTEROTOXIN)
Authors:Matkovic-Calogovic, D, Loregian, A, D'Acunto, M.R, Battistutta, R, Tossi, A, Palu, G, Zanotti, G.
Deposit date:1999-01-04
Release date:1999-01-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of the B subunit of Escherichia coli heat-labile enterotoxin carrying peptides with anti-herpes simplex virus type 1 activity.
J.Biol.Chem., 274, 1999
7KSK
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BU of 7ksk by Molmil
Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
Descriptor: 4-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
Authors:Park, H.
Deposit date:2020-11-23
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Thiophene-Pyrazolourea Derivatives as Potent, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7KSJ
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BU of 7ksj by Molmil
Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
Descriptor: 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
Authors:Park, H.
Deposit date:2020-11-23
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Thiophene-Pyrazolourea Derivatives as Potent, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7KSI
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BU of 7ksi by Molmil
Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
Descriptor: 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-5-methyl-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
Authors:Park, H.
Deposit date:2020-11-23
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.726 Å)
Cite:Thiophene-Pyrazolourea Derivatives as Potent, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7K3Q
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BU of 7k3q by Molmil
An ultra-potent human neutralizing antibody locks the SARS-CoV-2 spike in the closed conformation
Descriptor: 1,2-ETHANEDIOL, Fab fragment of S2E12 monoclonal antibody, heavy chain, ...
Authors:Snell, G, Czudnochowski, N, Ng, C.
Deposit date:2020-09-12
Release date:2020-10-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Ultrapotent human antibodies protect against SARS-CoV-2 challenge via multiple mechanisms.
Science, 370, 2020

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