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5KF3
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BU of 5kf3 by Molmil
Truncated hemolysin A from P. mirabilis Y134A at 2.2 Angstroms resolution
Descriptor: Hemolysin
Authors:Novak, W.R.P, Bhattacharyya, B, Weaver, T.M.
Deposit date:2016-06-11
Release date:2017-03-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Proteolysis of truncated hemolysin A yields a stable dimerization interface.
Acta Crystallogr F Struct Biol Commun, 73, 2017
6TT1
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BU of 6tt1 by Molmil
Crystal structure of 'Res_S2 mutant human Angiotensin-1 converting enzyme N-domain in complex with 33RE.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2019-12-23
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:ACE-domain selectivity extends beyond direct interacting residues at the active site.
Biochem.J., 477, 2020
4GG2
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BU of 4gg2 by Molmil
The crystal structure of glutamate-bound human gamma-glutamyltranspeptidase 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLUTAMIC ACID, ...
Authors:West, M.B, Chen, Y, Wickham, S, Heroux, A, Cahill, K, Hanigan, M.H, Mooers, B.H.M.
Deposit date:2012-08-04
Release date:2013-09-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Novel Insights into Eukaryotic gamma-Glutamyltranspeptidase 1 from the Crystal Structure of the Glutamate-bound Human Enzyme.
J.Biol.Chem., 288, 2013
6TT4
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BU of 6tt4 by Molmil
Crystal structure of 'Res_S2 mutant human Angiotensin-1 converting enzyme N-domain in complex with omapatrilat.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2019-12-23
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:ACE-domain selectivity extends beyond direct interacting residues at the active site.
Biochem.J., 477, 2020
6TWO
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BU of 6two by Molmil
Binding domain of BoNT/A6
Descriptor: Bont/A1, CHLORIDE ION
Authors:Davies, J.R, Britton, A, Acharya, K.R.
Deposit date:2020-01-13
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:High-resolution crystal structures of the botulinum neurotoxin binding domains from subtypes A5 and A6.
Febs Open Bio, 10, 2020
5KNC
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BU of 5knc by Molmil
Crystal structure of the 3 ADP-bound V1 complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Suzuki, K, Mizutani, K, Maruyama, S, Shimono, K, Imai, F.L, Muneyuki, E, Kakinuma, Y, Ishizuka-Katsura, Y, Shirouzu, M, Yokoyama, S, Yamato, I, Murata, T.
Deposit date:2016-06-28
Release date:2016-11-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.015 Å)
Cite:Crystal structures of the ATP-binding and ADP-release dwells of the V1 rotary motor
Nat Commun, 7, 2016
5KKD
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BU of 5kkd by Molmil
Truncated hemolysin A Y134A from P. mirabilis at 2.1 Angstroms resolution crystallized in a high salt condition
Descriptor: Hemolysin, SULFATE ION
Authors:Novak, W.R.P, Bhattacharyya, B, Weaver, T.M.
Deposit date:2016-06-21
Release date:2017-03-22
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Proteolysis of truncated hemolysin A yields a stable dimerization interface.
Acta Crystallogr F Struct Biol Commun, 73, 2017
2F8K
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BU of 2f8k by Molmil
Sequence specific recognition of RNA hairpins by the SAM domain of Vts1
Descriptor: 5'-R(*UP*AP*AP*UP*CP*UP*UP*UP*GP*AP*CP*AP*GP*AP*UP*U)-3', Protein VTS1
Authors:Aviv, T, Lin, Z, Ben-Ari, G, Smibert, C.A, Sicheri, F.
Deposit date:2005-12-02
Release date:2006-01-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Sequence-specific recognition of RNA hairpins by the SAM domain of Vts1p.
Nat.Struct.Mol.Biol., 13, 2006
5KQV
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BU of 5kqv by Molmil
Insulin receptor ectodomain construct comprising domains L1,CR,L2, FnIII-1 and alphaCT peptide in complex with bovine insulin and FAB 83-14 (REVISED STRUCTURE)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin, Insulin receptor,Insulin receptor, ...
Authors:Lawrence, M.C, Smith, B.J, Croll, T.I.
Deposit date:2016-07-06
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.4 Å)
Cite:How insulin engages its primary binding site on the insulin receptor.
Nature, 493, 2013
6TWP
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BU of 6twp by Molmil
Binding domain of BoNT/A5
Descriptor: Botulinum neurotoxin A5, CHLORIDE ION
Authors:Davies, J.R, Acharya, K.R.
Deposit date:2020-01-13
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:High-resolution crystal structures of the botulinum neurotoxin binding domains from subtypes A5 and A6.
Febs Open Bio, 10, 2020
8JBA
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BU of 8jba by Molmil
Discovery and Crystallography Study of Novel Oxadiazole Analogs as Small Molecule PD-1/PD-L1 inhibitors
Descriptor: (2~{S})-2-[[3-[[5-[(2-methyl-3-phenyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methylamino]-3-oxidanyl-propanoic acid, Programmed cell death 1 ligand 1
Authors:Cheng, Y, Xiao, Y.B.
Deposit date:2023-05-08
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery and Crystallography Study of Novel Biphenyl Ether and Oxadiazole Thioether (Non-Arylmethylamine)-Based Small-Molecule PD-1/PD-L1 Inhibitors as Immunotherapeutic Agents.
J.Med.Chem., 66, 2023
5KVC
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BU of 5kvc by Molmil
Thermostable mutant of halohydrin dehalogenase (HheC)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Halohydrin dehalogenase, ...
Authors:Dal Lago, M, Terwisscha van Scheltinga, A.C.
Deposit date:2016-07-14
Release date:2017-01-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:A robust cosolvent-compatible halohydrin dehalogenase by computational library design.
Protein Eng. Des. Sel., 30, 2017
1JEH
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BU of 1jeh by Molmil
CRYSTAL STRUCTURE OF YEAST E3, LIPOAMIDE DEHYDROGENASE
Descriptor: DIHYDROLIPOAMIDE DEHYDROGENASE, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Toyoda, T, Suzuki, K, Sekigushi, T, Reed, J, Takenaka, A.
Deposit date:2001-06-18
Release date:2001-07-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of eucaryotic E3, lipoamide dehydrogenase from yeast.
J.Biochem., 123, 1998
6UDA
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BU of 6uda by Molmil
Cryo-EM structure of CH235UCA bound to Man5-enriched CH505.N279K.G458Y.SOSIP.664
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CH235 UCA heavy chain Fab, CH235 UCA light chain Fab, ...
Authors:Henderson, R, Acharya, P.
Deposit date:2019-09-19
Release date:2019-10-02
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Neutralization-guided design of HIV-1 envelope trimers with high affinity for the unmutated common ancester of CH235 lineage CD4bs broadly neutralizing antibodies.
Plos Pathog., 15, 2019
5D2X
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BU of 5d2x by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 6 Round5
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, De novo desinged kemp eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2015-08-06
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 1 Wild Type
To Be Published
7XFX
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BU of 7xfx by Molmil
Crystal structure of the ternary complex of Peptidoglycan recognition protein, PGRP-S with hexanoic and tartaric acids at 2.28 A resolution.
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Maurya, A, Singh, P.K, Viswanathan, V, Sharma, P, Sharma, S, Singh, T.P.
Deposit date:2022-04-02
Release date:2022-05-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal structure of the ternary complex of Peptidoglycan recognition protein, PGRP-S with hexanoic and tartaric acids at 2.28 A resolution.
To Be Published
7XFY
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BU of 7xfy by Molmil
Crystal structure of the ternary complex of Peptidoglycan recognition protein, PGRP-S with hexanoic and tartaric acids at 2.67 A resolution.
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Maurya, A, Singh, P.K, Viswanathan, V, Sharma, P, Sharma, S, Singh, T.P.
Deposit date:2022-04-02
Release date:2022-05-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Crystal structure of the ternary complex of Peptidoglycan recognition protein, PGRP-S with hexanoic and tartaric acids at 2.67 A resolution.
To Be Published
6UIN
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BU of 6uin by Molmil
Role of Beta-hairpin motifs in the DNA duplex opening by the Rad4/XPC nucleotide excision repair complex
Descriptor: DNA (5'-D(*AP*TP*TP*GP*TP*AP*GP*NP*NP*NP*NP*GP*GP*AP*TP*GP*TP*CP*GP*AP*GP*TP*CP*A)-3'), DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*(G47)P*AP*CP*AP*TP*CP*CP*CP*CP*CP*CP*CP*TP*AP*CP*AP*A)-3'), DNA repair protein RAD4, ...
Authors:Paul, D, Min, J.-H.
Deposit date:2019-10-01
Release date:2020-10-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.348 Å)
Cite:Tethering-facilitated DNA 'opening' and complementary roles of beta-hairpin motifs in the Rad4/XPC DNA damage sensor protein
Nucleic Acids Res., 48, 2021
6UL5
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BU of 6ul5 by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile (24b), a non-nucleoside RT inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile, MAGNESIUM ION, ...
Authors:Ruiz, F.X, Pilch, A, Arnold, E.
Deposit date:2019-10-06
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Discovery and Characterization of Fluorine-Substituted Diarylpyrimidine Derivatives as Novel HIV-1 NNRTIs with Highly Improved Resistance Profiles and Low Activity for the hERG Ion Channel.
J.Med.Chem., 63, 2020
5KNB
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BU of 5knb by Molmil
Crystal structure of the 2 ADP-bound V1 complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Suzuki, K, Mizutani, K, Maruyama, S, Shimono, K, Imai, F.L, Muneyuki, E, Kakinuma, Y, Ishizuka-Katsura, Y, Shirouzu, M, Yokoyama, S, Yamato, I, Murata, T.
Deposit date:2016-06-28
Release date:2016-11-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.251 Å)
Cite:Crystal structures of the ATP-binding and ADP-release dwells of the V1 rotary motor
Nat Commun, 7, 2016
7CDC
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BU of 7cdc by Molmil
Crystal structure of LSD1-CoREST in complex with PRSFLVRRP peptide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ...
Authors:Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T.
Deposit date:2020-06-19
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity.
J.Med.Chem., 64, 2021
7CDF
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BU of 7cdf by Molmil
Crystal structure of LSD1-CoREST in complex with PRSFLVRRK peptide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ...
Authors:Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T.
Deposit date:2020-06-19
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity.
J.Med.Chem., 64, 2021
7CDD
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BU of 7cdd by Molmil
Crystal structure of LSD1-CoREST in complex with PRSFLVRR peptide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ...
Authors:Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T.
Deposit date:2020-06-19
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity.
J.Med.Chem., 64, 2021
7CDG
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BU of 7cdg by Molmil
Crystal structure of LSD1-CoREST in complex with PRSFLVRRR peptide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ...
Authors:Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T.
Deposit date:2020-06-19
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity.
J.Med.Chem., 64, 2021
7CDE
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BU of 7cde by Molmil
Crystal structure of LSD1-CoREST in complex with PRSFLVRKR peptide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ...
Authors:Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T.
Deposit date:2020-06-19
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity.
J.Med.Chem., 64, 2021

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