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5G5Y
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BU of 5g5y by Molmil
S.pneumoniae ABC-transporter substrate binding protein FusA apo structure
Descriptor: ABC TRANSPORTER, SUBSTRATE-BINDING PROTEIN, CALCIUM ION, ...
Authors:Culurgioni, S, Harris, G, Singh, A.K, King, S.J, Walsh, M.A.
Deposit date:2016-06-10
Release date:2017-01-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural Basis for Regulation and Specificity of Fructooligosaccharide Import in Streptococcus pneumoniae.
Structure, 25, 2017
5G1D
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BU of 5g1d by Molmil
The complex structure of syntenin-1 PDZ domain with c-terminal extension
Descriptor: SYNDECAN-4, SYNTENIN-1
Authors:Lee, I, Kim, H, Yun, J.H, Lee, W.
Deposit date:2016-03-25
Release date:2016-11-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:New Structural Insight of C-Terminal Region of Syntenin-1, Enhancing the Molecular Dimerization and Inhibitory Function Related on Syndecan-4 Signaling.
Sci.Rep., 6, 2016
7S2H
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BU of 7s2h by Molmil
Crystal structure of Trypanosoma cruzi glucokinase in the apo form (open conformation)
Descriptor: CITRATE ANION, Glucokinase 1, putative, ...
Authors:Kearns, S.P, Daneshian, L, Swartz, P.D, Carey, S.M, Chruszcz, M, D'Antonio, E.L.
Deposit date:2021-09-03
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Trypanosoma cruzi glucokinase in the apo form (open conformation)
To Be Published
5G1E
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BU of 5g1e by Molmil
The complex structure of syntenin-1 PDZ domain with c-terminal extension
Descriptor: SYNTENIN-1
Authors:Lee, I, Kim, H, Yun, J.H, Lee, W.
Deposit date:2016-03-25
Release date:2016-11-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:New Structural Insight of C-Terminal Region of Syntenin-1, Enhancing the Molecular Dimerization and Inhibitory Function Related on Syndecan-4 Signaling.
Sci.Rep., 6, 2016
7S2N
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BU of 7s2n by Molmil
Crystal structure of the F337L mutation of Trypanosoma cruzi glucokinase in the apo form (open conformation)
Descriptor: Glucokinase 1
Authors:Carey, S.M, Nettles, R.B, Daneshian, L, Chruszcz, M, D'Antonio, E.L.
Deposit date:2021-09-03
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of the F337L mutation of Trypanosoma cruzi glucokinase in the apo form (open conformation)
To Be Published
5G4S
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BU of 5g4s by Molmil
BROMODOMAIN OF HUMAN BRPF1 WITH N-1,3-dimethyl-6-2R-2- methylpiperazin-1-yl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl-N- ethyl-2-methoxybenzamide
Descriptor: 1,2-ETHANEDIOL, N-[1,3-dimethyl-6-[(2R)-2-methylpiperazin-1-yl]-2-oxidanylidene-benzimidazol-5-yl]-N-ethyl-2-methoxy-benzamide, PEREGRIN
Authors:Chung, C.
Deposit date:2016-05-16
Release date:2016-07-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Gsk6853, a Chemical Probe for Inhibition of the Brpf1 Bromodomain.
Acs Med.Chem.Lett., 7, 2016
5H8L
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BU of 5h8l by Molmil
Crystal structure of Medicago truncatula N-carbamoylputrescine amidohydrolase (MtCPA) C158S mutant in complex with putrescine
Descriptor: 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, DI(HYDROXYETHYL)ETHER, ...
Authors:Sekula, B, Ruszkowski, M, Malinska, M, Dauter, Z.
Deposit date:2015-12-23
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural Investigations of N-carbamoylputrescine Amidohydrolase from Medicago truncatula: Insights into the Ultimate Step of Putrescine Biosynthesis in Plants.
Front Plant Sci, 7, 2016
7S2P
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BU of 7s2p by Molmil
Crystal structure of the F337L mutation of Trypanosoma cruzi glucokinase in complex with inhibitor CBZ-GlcN
Descriptor: 2-{[(benzyloxy)carbonyl]amino}-2-deoxy-beta-D-glucopyranose, Glucokinase 1, SULFATE ION
Authors:Carey, S.M, Nettles, R.B, Daneshian, L, Chruszcz, M, D'Antonio, E.L.
Deposit date:2021-09-03
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of the F337L mutation of Trypanosoma cruzi glucokinase in complex with inhibitor CBZ-GlcN
To Be Published
6E6F
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BU of 6e6f by Molmil
KRAS G13D bound to GppNHp (K13GNP)
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Johnson, C.W, Mattos, C.
Deposit date:2018-07-24
Release date:2019-07-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.401 Å)
Cite:Isoform-Specific Destabilization of the Active Site Reveals a Molecular Mechanism of Intrinsic Activation of KRas G13D.
Cell Rep, 28, 2019
5HBC
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BU of 5hbc by Molmil
Intermediate structure of iron-saturated C-lobe of bovine lactoferrin at 2.79 Angstrom resolution indicates the softening of iron coordination
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, FE (III) ION, ...
Authors:Singh, A, Rastogi, N, Singh, P.K, Tyagi, T.K, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2015-12-31
Release date:2016-01-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structure of iron saturated C-lobe of bovine lactoferrin at pH 6.8 indicates a weakening of iron coordination
Proteins, 84, 2016
6E6G
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BU of 6e6g by Molmil
KRAS G13D bound to GDP (K13GDP)
Descriptor: CALCIUM ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Johnson, C.W, Mattos, C.
Deposit date:2018-07-24
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Isoform-Specific Destabilization of the Active Site Reveals a Molecular Mechanism of Intrinsic Activation of KRas G13D.
Cell Rep, 28, 2019
5HD3
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BU of 5hd3 by Molmil
Femtosecond Structural Dynamics Drives the Trans/Cis Isomerization in Photoactive Yellow Protein: Dark structure of photoactive yellow protein
Descriptor: Photoactive yellow protein
Authors:Pande, K, Tenboer, J, Schmidt, M.
Deposit date:2016-01-04
Release date:2016-05-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein.
Science, 352, 2016
5H6K
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BU of 5h6k by Molmil
DNA targeting ADP-ribosyltransferase Pierisin-1
Descriptor: 1,2-ETHANEDIOL, Pierisin-1
Authors:Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M.
Deposit date:2016-11-14
Release date:2017-08-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1
J. Biol. Chem., 292, 2017
5HDE
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BU of 5hde by Molmil
Crystal Structure of PTPN12 Catalytic Domain
Descriptor: PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 12
Authors:Dong, H, Li, S, Shi, J.
Deposit date:2016-01-05
Release date:2017-01-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal Structure of PTPN12 Catalytic Domain
To Be Published
5HDL
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BU of 5hdl by Molmil
Crystal structure of shaft pilin spaA from Lactobacillus rhamnosus GG - E269A mutant
Descriptor: Cell surface protein SpaA
Authors:Chaurasia, P, Pratap, S, von Ossowski, I, Palva, A, Krishnan, V.
Deposit date:2016-01-05
Release date:2016-07-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:New insights about pilus formation in gut-adapted Lactobacillus rhamnosus GG from the crystal structure of the SpaA backbone-pilin subunit
Sci Rep, 6, 2016
7SGV
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BU of 7sgv by Molmil
Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder630 inhibitor
Descriptor: CHLORIDE ION, N-(naphthalen-1-yl)pyridine-3-carboxamide, Papain-like protease, ...
Authors:Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-10-07
Release date:2021-10-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder630 inhibitor
To Be Published
7SGU
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BU of 7sgu by Molmil
Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder608 inhibitor
Descriptor: 5-amino-N-(naphthalen-1-yl)pyridine-3-carboxamide, CHLORIDE ION, FORMIC ACID, ...
Authors:Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-10-07
Release date:2021-10-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder608 inhibitor
To Be Published
5H8J
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BU of 5h8j by Molmil
Crystal structure of Medicago truncatula N-carbamoylputrescine amidohydrolase (MtCPA) in complex with cadaverine
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Sekula, B, Ruszkowski, M, Malinska, M, Dauter, Z.
Deposit date:2015-12-23
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural Investigations of N-carbamoylputrescine Amidohydrolase from Medicago truncatula: Insights into the Ultimate Step of Putrescine Biosynthesis in Plants.
Front Plant Sci, 7, 2016
7SGW
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BU of 7sgw by Molmil
Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder630 inhibitor
Descriptor: CHLORIDE ION, N-(naphthalen-1-yl)pyridine-3-carboxamide, Non-structural protein 3, ...
Authors:Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-10-07
Release date:2021-10-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder630 inhibitor
To Be Published
5HGK
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BU of 5hgk by Molmil
HIV-1 CA N-terminal domain, open conformation
Descriptor: CHLORIDE ION, Capsid protein
Authors:Jacques, D.A, Price, A.J, James, L.C.
Deposit date:2016-01-08
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.763 Å)
Cite:HIV-1 uses dynamic capsid pores to import nucleotides and fuel encapsidated DNA synthesis.
Nature, 536, 2016
7RZ8
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BU of 7rz8 by Molmil
Structure of the complex of LBD-TMD part of AMPA receptor GluA2 with auxiliary subunit TARP gamma-5 bound to agonist quisqualate
Descriptor: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Glutamate receptor 2
Authors:Klykov, O.V, Gangwar, S.P, Yelshanskaya, M.V, Sobolevsky, A.I.
Deposit date:2021-08-27
Release date:2021-10-27
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structure and desensitization of AMPA receptor complexes with type II TARP gamma 5 and GSG1L.
Mol.Cell, 81, 2021
5HGT
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BU of 5hgt by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS L25K/I92T at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Skerritt, L.A, Caro, J.A, Schlessman, J.L, Garcia-Moreno E, B.
Deposit date:2016-01-08
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS L25K/I92T at cryogenic temperature
To be Published
1A5O
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BU of 1a5o by Molmil
K217C VARIANT OF KLEBSIELLA AEROGENES UREASE, CHEMICALLY RESCUED BY FORMATE AND NICKEL
Descriptor: FORMIC ACID, NICKEL (II) ION, UREASE (ALPHA SUBUNIT), ...
Authors:Pearson, M.A, Schaller, R.A, Michel, L.O, Karplus, P.A, Hausinger, R.P.
Deposit date:1998-02-17
Release date:1998-05-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Chemical rescue of Klebsiella aerogenes urease variants lacking the carbamylated-lysine nickel ligand.
Biochemistry, 37, 1998
5HBH
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BU of 5hbh by Molmil
CDK8-CYCC IN COMPLEX WITH 5-{5-Chloro-4-[1-(2-methoxy-ethyl)-1,8-diaza-spiro[4.5]dec-8-yl]-pyridin-3-yl}-1-methyl-1,3-dihydro-benzo[c]isothiazole 2,2-dioxide
Descriptor: 1,2-ETHANEDIOL, 5-[5-chloranyl-4-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]pyridin-3-yl]-1-methyl-3~{H}-2,1-benzothiazole 2,2-dioxide, Cyclin-C, ...
Authors:Musil, D, Blagg, J, Mallinger, A.
Deposit date:2015-12-31
Release date:2016-02-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19.
J.Med.Chem., 59, 2016
7S4Z
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BU of 7s4z by Molmil
Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Proteinase K
Descriptor: CALCIUM ION, NITRATE ION, Proteinase K
Authors:Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X.
Deposit date:2021-09-09
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Serial macromolecular crystallography at ALBA Synchrotron Light Source.
J.Synchrotron Radiat., 29, 2022

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