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6RNV
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BU of 6rnv by Molmil
The crystal structure of Thermosynechococcus elongatus protochlorophyllide oxidoreductase (POR)
Descriptor: CHLORIDE ION, Thermosynechococcus elongatus protochlorophyllide oxidoreductase (POR)
Authors:Levy, C.W.
Deposit date:2019-05-09
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis.
Nature, 574, 2019
8OVY
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BU of 8ovy by Molmil
Structure of analogue of superfolded GFP
Descriptor: Green fluorescent protein
Authors:Dunkelmann, D, Fiedler, M, Bellini, D, Alvira, C.P, Chin, J.W.
Deposit date:2023-04-26
Release date:2024-01-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.537 Å)
Cite:Adding alpha , alpha-disubstituted and beta-linked monomers to the genetic code of an organism.
Nature, 625, 2024
4RLS
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BU of 4rls by Molmil
Lactate Dehydrogenase in complex with inhibitor compound 47
Descriptor: (1R)-5'-[(2-chlorophenyl)sulfanyl]-4'-hydroxy-2,3-dihydrospiro[indene-1,2'-pyran]-6'(3'H)-one, (2S)-2-HYDROXYPROPANOIC ACID, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
Authors:Eigenbrot, C, Ultsch, M.H.
Deposit date:2014-10-17
Release date:2014-11-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Identification of 3,6-disubstituted dihydropyrones as inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 24, 2014
7SJY
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BU of 7sjy by Molmil
Crystal structure of Clostridium thermocellum RsgI9 S1C-NTF2 bi-domain
Descriptor: Anti-sigma-I factor RsgI9, GLYCEROL
Authors:Mahoney, B.J, Cascio, D, Clubb, R.T.
Deposit date:2021-10-19
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure of the Clostridium thermocellum RsgI9 ectodomain provides insight into the mechanism of biomass sensing.
Proteins, 90, 2022
7WN6
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BU of 7wn6 by Molmil
Cryo-EM structure of VWF D'D3 dimer (R1136M/E1143M mutant) complexed with D1D2 at 3.29 angstron resolution (2 units)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ...
Authors:Zeng, J.W, Shu, Z.M, Zhou, A.W.
Deposit date:2022-01-17
Release date:2022-05-18
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Structural mechanism of VWF D'D3 dimer formation.
Cell Discov, 8, 2022
7WN4
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BU of 7wn4 by Molmil
Cryo-EM structure of VWF D'D3 dimer (wild type) complexed with D1D2 at 3.4 angstron resolution (1 unit)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ...
Authors:Zeng, J.W, Shu, Z.M, Zhou, A.W.
Deposit date:2022-01-17
Release date:2022-05-18
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural mechanism of VWF D'D3 dimer formation.
Cell Discov, 8, 2022
7WPQ
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BU of 7wpq by Molmil
Cryo-EM structure of VWF D'D3 dimer complexed with D1D2 at 3.27 angstron resolution (2 units)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ...
Authors:Zeng, J.W, Shu, Z.M, Zhou, A.W.
Deposit date:2022-01-24
Release date:2022-05-25
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.267 Å)
Cite:Structural basis of von Willebrand factor multimerization and tubular storage.
Blood, 139, 2022
7WQT
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BU of 7wqt by Molmil
Cryo-EM structure of VWF D'D3 dimer complexed with D1D2 at 4.3 angstron resolution (VWF tube)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ...
Authors:Zeng, J.W, Shu, Z.M, Zhou, A.W.
Deposit date:2022-01-26
Release date:2022-05-25
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural basis of von Willebrand factor multimerization and tubular storage.
Blood, 139, 2022
7WPS
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BU of 7wps by Molmil
Cryo-EM structure of VWF D'D3 dimer complexed with D1D2 at 4.3 angstron resolution (7 units)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ...
Authors:Zeng, J.W, Shu, Z.M, Zhou, A.W.
Deposit date:2022-01-24
Release date:2022-05-25
Last modified:2022-06-15
Method:ELECTRON MICROSCOPY (4.32 Å)
Cite:Structural basis of von Willebrand factor multimerization and tubular storage.
Blood, 139, 2022
7WPP
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BU of 7wpp by Molmil
Cryo-EM structure of VWF D'D3 dimer complexed with D1D2 at 2.85 angstron resolution (1 unit)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ...
Authors:Zeng, J.W, Shu, Z.M, Zhou, A.W.
Deposit date:2022-01-24
Release date:2022-05-25
Last modified:2022-06-15
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Structural basis of von Willebrand factor multimerization and tubular storage.
Blood, 139, 2022
7WN3
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BU of 7wn3 by Molmil
Cryo-EM structure of VWF D'D3 dimer (2M mutant) complexed with D1D2 at 3.29 angstron resolution (2 units)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ...
Authors:Zeng, J.W, Shu, Z.M, Zhou, A.W.
Deposit date:2022-01-17
Release date:2022-05-25
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Structural mechanism of VWF D'D3 dimer formation.
Cell Discov, 8, 2022
7WPR
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BU of 7wpr by Molmil
VWF D'D3 dimer complexed with D1D2 at 4.39 angstron resolution(VWF tube)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ...
Authors:Zeng, J.W, Shu, Z.M, Zhou, A.W.
Deposit date:2022-01-24
Release date:2022-05-25
Last modified:2022-06-15
Method:ELECTRON MICROSCOPY (4.39 Å)
Cite:Structural basis of von Willebrand factor multimerization and tubular storage.
Blood, 139, 2022
5I2E
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BU of 5i2e by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (Hint1) with Bound Sulfamate Inhibitor 3a:3-(5-O-{[3-(1H-indol-3-yl)propanoyl]sulfamoyl}-beta-D-ribofuranosyl)-3H-imidazo[2,1-i]purine
Descriptor: 3-(5-O-{[3-(1H-indol-3-yl)propanoyl]sulfamoyl}-beta-D-ribofuranosyl)-3H-imidazo[2,1-i]purine, GLYCEROL, Histidine triad nucleotide-binding protein 1
Authors:Strom, A.M, Finzel, B.C, Wagner, C.R.
Deposit date:2016-02-08
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design, Synthesis, and Characterization of Sulfamide and Sulfamate Nucleotidomimetic Inhibitors of hHint1.
Acs Med.Chem.Lett., 7, 2016
5I2F
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BU of 5i2f by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) with bound sulfamide inhibitor Bio-AMS
Descriptor: 1,2-ETHANEDIOL, 5'-deoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Histidine triad nucleotide-binding protein 1
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-02-08
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Design, Synthesis, and Characterization of Sulfamide and Sulfamate Nucleotidomimetic Inhibitors of hHint1.
Acs Med.Chem.Lett., 7, 2016
8SMU
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BU of 8smu by Molmil
Integral fusion of the HtaA CR2 domain from Corynebacterium diphtheriae within EGFP
Descriptor: CHLORIDE ION, GLYCEROL, HtaACR2 integral fusion within enhanced green fluorescent protein, ...
Authors:Mahoney, B.J, Cascio, D, Clubb, R.T.
Deposit date:2023-04-26
Release date:2023-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Development and atomic structure of a new fluorescence-based sensor to probe heme transfer in bacterial pathogens.
J.Inorg.Biochem., 249, 2023
6B42
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BU of 6b42 by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) 2'-deoxy-AMP complex at 1.13A resolution
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2017-09-25
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
6BAX
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BU of 6bax by Molmil
Lactate Dehydrogenase in complex with inhibitor 6-(3-aminophenyl)-3-((2-chlorophenyl)thio)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
Descriptor: (6R)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6BB3
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BU of 6bb3 by Molmil
Lactate Dehydrogenase in complex with inhibitor 3-((2-chlorophenyl)thio)-6-(6-((4-fluorophenyl)amino)pyridin-2-yl)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
Descriptor: (6R)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Chen, Z, Eigenbrot, C.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
4NPJ
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BU of 4npj by Molmil
Extended-Synaptotagmin 2, C2A- and C2B-domains
Descriptor: ACETATE ION, CHLORIDE ION, Extended synaptotagmin-2, ...
Authors:Tomchick, D.R, Rizo, J, Xu, J.
Deposit date:2013-11-21
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Structure and ca(2+)-binding properties of the tandem c2 domains of e-syt2.
Structure, 22, 2014
4NPK
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BU of 4npk by Molmil
Extended-Synaptotagmin 2, C2A- and C2B-domains, calcium bound
Descriptor: CALCIUM ION, Extended synaptotagmin-2
Authors:Tomchick, D.R, Rizo, J, Xu, J.
Deposit date:2013-11-21
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.552 Å)
Cite:Structure and ca(2+)-binding properties of the tandem c2 domains of e-syt2.
Structure, 22, 2014
4QO8
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BU of 4qo8 by Molmil
Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-enone compound 104
Descriptor: (5S)-2-[(2-chlorophenyl)sulfanyl]-5-(2,6-dichlorophenyl)-3-hydroxycyclohex-2-en-1-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2014-06-19
Release date:2014-07-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 24, 2014
4QO7
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BU of 4qo7 by Molmil
Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-enone compound 7
Descriptor: (2S)-2-HYDROXYPROPANOIC ACID, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2014-06-19
Release date:2014-07-16
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 24, 2014
4R68
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BU of 4r68 by Molmil
Lactate Dehydrogenase in complex with inhibitor compound 31
Descriptor: (1S)-1-phenylethyl (4-chloro-3-{[(4S)-4-(2,6-dichlorophenyl)-2-hydroxy-6-oxocyclohex-1-en-1-yl]sulfanyl}phenyl)acetate, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2014-08-22
Release date:2014-12-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.112 Å)
Cite:Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 25, 2014
4R69
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BU of 4r69 by Molmil
Lactate Dehydrogenase in complex with inhibitor compound 13
Descriptor: (5R)-2-[(2-chlorophenyl)sulfanyl]-5-[2,6-dichloro-3-(tetrahydro-2H-pyran-4-ylamino)phenyl]-3-hydroxycyclohex-2-en-1-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2014-08-22
Release date:2014-12-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 25, 2014
6I3I
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BU of 6i3i by Molmil
Crystal structure of reactive center loop (RCL) cleaved angiotensinogen
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensinogen
Authors:Yan, Y, Read, R.J.
Deposit date:2018-11-06
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Structural basis for the specificity of renin-mediated angiotensinogen cleavage.
J. Biol. Chem., 294, 2019

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