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6ETY
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BU of 6ety by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor JHU3371
Descriptor: (2~{S})-2-[[(2~{R})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Barinka, C, Novakova, Z, Motlova, L.
Deposit date:2017-10-27
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural and computational basis for potent inhibition of glutamate carboxypeptidase II by carbamate-based inhibitors.
Bioorg.Med.Chem., 27, 2019
6EYT
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BU of 6eyt by Molmil
Crystal structure of the Salmonella effector SseK3 in complex with UDP-GlcNAc and Manganese
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, IODIDE ION, MANGANESE (II) ION, ...
Authors:Esposito, D, Rittinger, K.
Deposit date:2017-11-13
Release date:2018-02-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural basis for the glycosyltransferase activity of theSalmonellaeffector SseK3.
J. Biol. Chem., 293, 2018
6F3N
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BU of 6f3n by Molmil
Crystal structure of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa cocrystallized with SAH in the presence of K+ and Zn2+ cations
Descriptor: ADENOSINE, Adenosylhomocysteinase, GLYCEROL, ...
Authors:Czyrko, J, Brzezinski, K.
Deposit date:2017-11-28
Release date:2018-08-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Metal-cation regulation of enzyme dynamics is a key factor influencing the activity of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa.
Sci Rep, 8, 2018
4JGP
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BU of 4jgp by Molmil
The crystal structure of sporulation kinase D sensor domain from Bacillus subtilis subsp in complex with pyruvate at 2.0A resolution
Descriptor: PYRUVIC ACID, Sporulation kinase D
Authors:Wu, R, Schiffer, M, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2013-03-01
Release date:2013-05-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Insight into the sporulation phosphorelay: Crystal structure of the sensor domain of Bacillus subtilis histidine kinase, KinD.
Protein Sci., 22, 2013
4OB5
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BU of 4ob5 by Molmil
Ontogeny of recognition specificity and functionality for the broadly neutralizing anti-HIV antibody 4E10
Descriptor: 4E10 antibody germline precursor 7 heavy chain Fv, 4E10 antibody germline precursor 7 light chain Fv, GLYCEROL, ...
Authors:Jaffe, J.B, Rupert, P.B.
Deposit date:2014-01-06
Release date:2014-10-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Ontogeny of Recognition Specificity and Functionality for the Broadly Neutralizing Anti-HIV Antibody 4E10.
Plos Pathog., 10, 2014
4JGQ
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BU of 4jgq by Molmil
The crystal structure of sporulation kinase D mutant sensor domain, r131a, from Bacillus subtilis subsp in co-crystallization with pyruvate
Descriptor: ACETIC ACID, Sporulation kinase D
Authors:Wu, R, Schiffer, M, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2013-03-01
Release date:2013-05-15
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Insight into the sporulation phosphorelay: Crystal structure of the sensor domain of Bacillus subtilis histidine kinase, KinD.
Protein Sci., 22, 2013
3I05
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BU of 3i05 by Molmil
Tryptophanyl-tRNA synthetase from Trypanosoma brucei
Descriptor: Tryptophanyl-tRNA synthetase
Authors:Arakaki, T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2009-06-24
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of three protozoan homologs of tryptophanyl-tRNA synthetase.
Mol.Biochem.Parasitol., 177, 2011
4JGO
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BU of 4jgo by Molmil
The crystal structure of sporulation kinase d sensor domain from Bacillus subtilis subsp.
Descriptor: GLYCEROL, PYRUVIC ACID, Sporulation kinase D
Authors:Wu, R, Schiffer, M, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2013-03-01
Release date:2013-05-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Insight into the sporulation phosphorelay: Crystal structure of the sensor domain of Bacillus subtilis histidine kinase, KinD.
Protein Sci., 22, 2013
4JGR
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BU of 4jgr by Molmil
The crystal structure of sporulation kinase D mutant sensor domain, R131A, from Bacillus subtilis subsp at 2.4A resolution
Descriptor: ACETIC ACID, GLYCEROL, Sporulation kinase D
Authors:Wu, R, Schiffer, M, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2013-03-01
Release date:2013-05-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Insight into the sporulation phosphorelay: Crystal structure of the sensor domain of Bacillus subtilis histidine kinase, KinD.
Protein Sci., 22, 2013
2A7N
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BU of 2a7n by Molmil
Crystal Structure of the G81A mutant of the Active Chimera of (S)-Mandelate Dehydrogenase
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN MONONUCLEOTIDE, L(+)-mandelate dehydrogenase
Authors:Sukumar, N, Xu, Y, Mitra, B, Mathews, F.S.
Deposit date:2005-07-05
Release date:2006-07-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of the G81A mutant form of the active chimera of (S)-mandelate dehydrogenase and its complex with two of its substrates
Acta Crystallogr.,Sect.D, 65, 2009
5WEN
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BU of 5wen by Molmil
GluA2 bound to GSG1L in digitonin, state 2
Descriptor: Digitonin, Glutamate receptor 2,Germ cell-specific gene 1-like protein
Authors:Twomey, E.C, Yelshanskaya, M.V, Grassucci, R.A, Frank, J, Sobolevsky, A.I.
Deposit date:2017-07-10
Release date:2017-08-02
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (6.8 Å)
Cite:Channel opening and gating mechanism in AMPA-subtype glutamate receptors.
Nature, 549, 2017
6EPU
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BU of 6epu by Molmil
The ATAD2 bromodomain in complex with compound 2
Descriptor: (2~{S})-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide, ATPase family AAA domain-containing protein 2, SULFATE ION
Authors:Sledz, P, Caflisch, A.
Deposit date:2017-10-12
Release date:2018-10-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
8C7U
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BU of 8c7u by Molmil
Transcriptional pleiotropic repressor CodY from Enterococcus faecalis in complex with Leu and a 30-bp DNA fragment encompassing two overlapping binding sites
Descriptor: DNA (29-MER), DNA (30-MER), GTP-sensing transcriptional pleiotropic repressor CodY, ...
Authors:Hainzl, T, Sauer-Eriksson, A.E.
Deposit date:2023-01-17
Release date:2023-06-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural insights into CodY activation and DNA recognition.
Nucleic Acids Res., 51, 2023
3KYC
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BU of 3kyc by Molmil
Human SUMO E1 complex with a SUMO1-AMP mimic
Descriptor: 5'-deoxy-5'-(sulfamoylamino)adenosine, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ...
Authors:Lima, C.D.
Deposit date:2009-12-05
Release date:2010-02-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Active site remodelling accompanies thioester bond formation in the SUMO E1.
Nature, 463, 2010
8C13
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BU of 8c13 by Molmil
Crystal structure of pVHL:ElonginC:ElonginB complex bound to PROTAC JW48
Descriptor: (2~{S},4~{R})-1-[(2~{S})-2-[3-[2-[2-[2-(acetamidomethyl)-4-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-2-yl)phenoxy]ethoxy]ethoxy]propanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
Authors:Kraemer, A, Weckesser, J, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-12-20
Release date:2022-12-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization.
Cell Chem Biol, 30, 2023
6F26
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BU of 6f26 by Molmil
Crystal structure of human Casein Kinase I delta in complex with compound 31b
Descriptor: (9~{S},10~{S},11~{R})-~{N}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide, Casein kinase I isoform delta, SULFATE ION
Authors:Pichlo, C, Brunstein, E, Baumann, U.
Deposit date:2017-11-23
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Design, Synthesis and Biological Evaluation of Isoxazole-Based CK1 Inhibitors Modified with Chiral Pyrrolidine Scaffolds.
Molecules, 24, 2019
2A7P
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BU of 2a7p by Molmil
Crystal Structure of the G81A mutant of the Active Chimera of (S)-Mandelate Dehydrogenase in complex with its substrate 3-indolelactate
Descriptor: (S)-Mandelate Dehydrogenase, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(INDOL-3-YL) LACTATE, ...
Authors:Sukumar, N, Xu, Y, Mitra, B, Mathews, F.S.
Deposit date:2005-07-05
Release date:2006-07-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of the G81A mutant form of the active chimera of (S)-mandelate dehydrogenase and its complex with two of its substrates.
Acta Crystallogr.,Sect.D, 65, 2009
8CC1
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BU of 8cc1 by Molmil
Crystal Structure of Anti-cortisol Fab in Complex with Prednisolone
Descriptor: anti-cortisol (17) Fab (heavy chain), anti-cortisol (17) Fab (light chain), prednisolone
Authors:Eronen, V, Rouvinen, J, Hakulinen, N.
Deposit date:2023-01-26
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insight to elucidate the binding specificity of the anti-cortisol Fab fragment with glucocorticoids.
J.Struct.Biol., 215, 2023
8CC0
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BU of 8cc0 by Molmil
Crystal Structure of Anti-cortisol Fab in Complex with Cortisone
Descriptor: Cortisone, anti-cortisol (17) Fab (heavy chain), anti-cortisol (17) Fab (light chain)
Authors:Eronen, V, Rouvinen, J, Hakulinen, N.
Deposit date:2023-01-26
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural insight to elucidate the binding specificity of the anti-cortisol Fab fragment with glucocorticoids.
J.Struct.Biol., 215, 2023
8CBY
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BU of 8cby by Molmil
Crystal Structure of Anti-cortisol Fab in Complex with Cortisol
Descriptor: (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, anti-cortisol (17) Fab (heavy chain), anti-cortisol (17) Fab (light chain)
Authors:Eronen, V, Rouvinen, J, Hakulinen, N.
Deposit date:2023-01-26
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural insight to elucidate the binding specificity of the anti-cortisol Fab fragment with glucocorticoids.
J.Struct.Biol., 215, 2023
8CBX
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BU of 8cbx by Molmil
Crystal Structure of Anti-Cortisol Fab fragment
Descriptor: TETRAETHYLENE GLYCOL, anti-cortisol (17) Fab (heavy chain), anti-cortisol (17) Fab (light chain)
Authors:Eronen, V, Rouvinen, J, Hakulinen, N.
Deposit date:2023-01-26
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insight to elucidate the binding specificity of the anti-cortisol Fab fragment with glucocorticoids.
J.Struct.Biol., 215, 2023
8CBZ
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BU of 8cbz by Molmil
Crystal Structure of Anti-cortisol Fab in Complex with Corticosterone
Descriptor: CORTICOSTERONE, anti-cortisol (17) Fab (heavy chain), anti-cortisol (17) Fab (light chain)
Authors:Eronen, V, Rouvinen, J, Hakulinen, N.
Deposit date:2023-01-26
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural insight to elucidate the binding specificity of the anti-cortisol Fab fragment with glucocorticoids.
J.Struct.Biol., 215, 2023
8C3C
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BU of 8c3c by Molmil
14-3-3 sigma with Pin1 binding site pS72 and bound Fusicoccin A
Descriptor: 14-3-3 protein sigma, FUSICOCCIN, MAGNESIUM ION, ...
Authors:Verhoef, C.J, Cossar, P.
Deposit date:2022-12-23
Release date:2023-06-14
Last modified:2023-07-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Tracking the mechanism of covalent molecular glue stabilization using native mass spectrometry.
Chem Sci, 14, 2023
8C2G
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BU of 8c2g by Molmil
14-3-3 sigma with Pin1 binding site pS72 and covalently bound CV1040
Descriptor: 14-3-3 protein sigma, 2-iodanyl-4-(2-phenylimidazol-1-yl)benzaldehyde, MAGNESIUM ION, ...
Authors:Verhoef, C.J, Cossar, P.
Deposit date:2022-12-22
Release date:2023-06-14
Last modified:2023-07-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Tracking the mechanism of covalent molecular glue stabilization using native mass spectrometry.
Chem Sci, 14, 2023
6F1W
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BU of 6f1w by Molmil
Crystal structure of human Casein Kinase I delta in complex with compound 31a
Descriptor: (9~{R},10~{R},11~{S})-~{N}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide, Casein kinase I isoform delta, SULFATE ION
Authors:Pichlo, C, Brunstein, E, Baumann, U.
Deposit date:2017-11-23
Release date:2019-03-13
Method:X-RAY DIFFRACTION (1.864 Å)
Cite:Design, Synthesis and Biological Evaluation of Isoxazole-Based CK1 Inhibitors Modified with Chiral Pyrrolidine Scaffolds.
Molecules, 24, 2019

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