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6LKZ
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BU of 6lkz by Molmil
Crystal structure of isocitrate dehydrogenase 1 from Phaeodactylum tricornutum
Descriptor: isocitrate dehydrogenase
Authors:Zhu, G.P.
Deposit date:2019-12-21
Release date:2020-12-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Biochemical Characterization and Crystal Structure of a Novel NAD+ -Dependent Isocitrate Dehydrogenase from Phaeodactylum tricornutum.
Int J Mol Sci, 21, 2020
8OIZ
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BU of 8oiz by Molmil
Crystal structure of human CRBN-DDB1 in complex with Pomalidomide
Descriptor: 1,2-ETHANEDIOL, DNA damage-binding protein 1, Protein cereblon, ...
Authors:Le Bihan, Y.-V, Cabry, M.P, van Montfort, R.L.M.
Deposit date:2023-03-23
Release date:2023-07-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Degron Blocking Strategy Towards Improved CRL4 CRBN Recruiting PROTAC Selectivity.
Chembiochem, 24, 2023
8OJH
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BU of 8ojh by Molmil
Crystal structure of human CRBN-DDB1 in complex with compound 4
Descriptor: 1,2-ETHANEDIOL, 4-azanyl-2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-7-methoxy-isoindole-1,3-dione, DNA damage-binding protein 1, ...
Authors:Cabry, M.P, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2023-03-24
Release date:2023-07-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:A Degron Blocking Strategy Towards Improved CRL4 CRBN Recruiting PROTAC Selectivity.
Chembiochem, 24, 2023
5T8Q
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BU of 5t8q by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to aryl pyrrole fragment 17
Descriptor: 1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
Authors:Smith, M.A, McEwan, P.A, Hymowitz, S.G.
Deposit date:2016-09-08
Release date:2017-01-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
7VLI
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BU of 7vli by Molmil
Crystal structure of Zika NS2B-NS3 protease with compound MI2220
Descriptor: 1-[(3~{S},6~{S},19~{R})-3,6-bis(4-azanylbutyl)-2,5,8,12,15,18-hexakis(oxidanylidene)-1,4,7,11,14,17-hexazacyclotricos-19-yl]guanidine, NS3 protease, SULFATE ION, ...
Authors:Quek, J.P.
Deposit date:2021-10-02
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.385 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7VLH
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BU of 7vlh by Molmil
Crystal structure of Zika NS2B-NS3 protease with compound MI2219
Descriptor: 1-[(3~{S},6~{R},18~{R})-3,6-bis(4-azanylbutyl)-2,5,8,11,14,17-hexakis(oxidanylidene)-1,4,7,10,13,16-hexazacyclodocos-18-yl]guanidine, NS3 protease, SULFATE ION, ...
Authors:Quek, J.P.
Deposit date:2021-10-02
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.621 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7VO8
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BU of 7vo8 by Molmil
Structure of AtHPPD complexed with LSY-1
Descriptor: 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION, N-[6-[[9-(dimethylamino)-12H-benzo[a]phenoxazin-5-yl]amino]hexyl]-4-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-[oxidanyl(oxidanylidene)-$l^4-azanyl]benzamide
Authors:Yang, G.-F, Dong, J.
Deposit date:2021-10-12
Release date:2022-09-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In vivo diagnostics of abiotic plant stress responses via in situ real-time fluorescence imaging
Plant Physiol., 190, 2022
7X12
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BU of 7x12 by Molmil
Crystal structure of ME1 in complex with NADPH
Descriptor: MANGANESE (II) ION, NADP-dependent malic enzyme, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Amano, Y.
Deposit date:2022-02-22
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Discovery and Characterization of a Novel Allosteric Small-Molecule Inhibitor of NADP + -Dependent Malic Enzyme 1.
Biochemistry, 61, 2022
7X11
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BU of 7x11 by Molmil
Crystal structure of ME1 in complex with NADPH
Descriptor: 6-[(7-methyl-2-propyl-imidazo[4,5-b]pyridin-4-yl)methyl]-2-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]-1,3-benzothiazole, MANGANESE (II) ION, NADP-dependent malic enzyme, ...
Authors:Amano, Y.
Deposit date:2022-02-22
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Discovery and Characterization of a Novel Allosteric Small-Molecule Inhibitor of NADP + -Dependent Malic Enzyme 1.
Biochemistry, 61, 2022
7VLG
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BU of 7vlg by Molmil
Crystal structure of Zika NS2B-NS3 protease with compound MI2201
Descriptor: 1-[(5~{R},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-5-propan-2-yl-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine, NS3 protease, SULFATE ION, ...
Authors:Quek, J.P.
Deposit date:2021-10-02
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.771 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
3FX2
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BU of 3fx2 by Molmil
COMPARISON OF THE CRYSTAL STRUCTURES OF A FLAVODOXIN IN ITS THREE OXIDATION STATES AT CRYOGENIC TEMPERATURES
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
Authors:Watt, W, Watenpaugh, K.D.
Deposit date:1991-10-17
Release date:1993-10-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Comparison of the crystal structures of a flavodoxin in its three oxidation states at cryogenic temperatures.
J.Mol.Biol., 218, 1991
7EST
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BU of 7est by Molmil
Interaction of the peptide CF3-LEU-ALA-NH-C6H4-CF3(TFLA) with porcine pancreatic elastase. X-ray studies at 1.8 Angstroms
Descriptor: CALCIUM ION, DIMETHYLFORMAMIDE, ELASTASE, ...
Authors:Li De Lasierra, I, Prange, T.
Deposit date:1990-06-15
Release date:1991-10-15
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Interaction of the peptide CF3-Leu-Ala-NH-C6H4-CF3 (TFLA) with porcine pancreatic elastase. X-ray studies at 1.8 A.
J.Mol.Recog., 3, 1990
8JN1
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BU of 8jn1 by Molmil
Cryo-EM structure of dengue virus serotype 3 strain EHIE46200Y19 in complex with human antibody DENV-115 IgG at 4 deg C (subparticle LLR-LRR)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein (Fragment), Human antibody DENV-115 heavy chain, ...
Authors:Fibriansah, G, Ng, T.S, Tan, A.W.K, Shi, J, Lok, S.M.
Deposit date:2023-06-06
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Ultrapotent human antibodies lock E protein dimers of diverse DENV3 morphological variants
To Be Published
8JN2
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BU of 8jn2 by Molmil
Cryo-EM structure of dengue virus serotype 3 strain 863DK in complex with human antibody DENV-115 Fab at 4 deg C (subparticle LLR-LRR)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein, Human antibody DENV-115 heavy chain, ...
Authors:Fibriansah, G, Ng, T.S, Tan, A.W.K, Shi, J, Lok, S.M.
Deposit date:2023-06-06
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Ultrapotent human antibodies lock E protein dimers of diverse DENV3 morphological variants
To Be Published
8JN3
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BU of 8jn3 by Molmil
Cryo-EM structure of dengue virus serotype 3 strain 863DK in complex with human antibody DENV-115 Fab at 37 deg C (subparticle LLR-LRR)
Descriptor: Envelope protein, Human antibody DENV-115 heavy chain, Human antibody DENV-115 light chain, ...
Authors:Fibriansah, G, Ng, T.S, Tan, A.W.K, Shi, J, Lok, S.M.
Deposit date:2023-06-06
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (5.4 Å)
Cite:Ultrapotent human antibodies lock E protein dimers of diverse DENV3 morphological variants
To Be Published
8JN4
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BU of 8jn4 by Molmil
Cryo-EM structure of dengue virus serotype 3 strain 863DK in complex with human antibody DENV-290 Fab at 4 deg C (subparticle LLR-LRR)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein, Human antibody DENV-290 heavy chain, ...
Authors:Fibriansah, G, Ng, T.S, Tan, A.W.K, Shi, J, Lok, S.M.
Deposit date:2023-06-06
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Ultrapotent human antibodies lock E protein dimers of diverse DENV3 morphological variants
To Be Published
8JN5
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BU of 8jn5 by Molmil
Cryo-EM structure of dengue virus serotype 3 strain 863DK in complex with human antibody DENV-290 Fab at 37 deg C (subparticle LLR-LRR)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein, Human antibody DENV-290 heavy chain, ...
Authors:Fibriansah, G, Ng, T.S, Tan, A.W.K, Shi, J, Lok, S.M.
Deposit date:2023-06-06
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Ultrapotent human antibodies lock E protein dimers of diverse DENV3 morphological variants
To Be Published
8JN6
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BU of 8jn6 by Molmil
Cryo-EM structure of the small tail club shape particle of dengue virus serotype 3 strain CH53489 in complex with human antibody DENV-290 Fab at 37 deg C
Descriptor: Human antibody DENV-290 heavy chain, Human antibody DENV-290 light chain, Polyprotein (Fragment)
Authors:Fibriansah, G, Ng, T.S, Tan, A.W.K, Shi, J, Lok, S.M.
Deposit date:2023-06-06
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (9.8 Å)
Cite:Ultrapotent human antibodies lock E protein dimers of diverse DENV3 morphological variants
To Be Published
8JN7
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BU of 8jn7 by Molmil
Cryo-EM structure of the big tail club shape particle of dengue virus serotype 3 strain CH53489 in complex with human antibody DENV-290 Fab at 37 deg C
Descriptor: Human antibody DENV-290 heavy chain, Human antibody DENV-290 light chain, Polyprotein (Fragment)
Authors:Fibriansah, G, Ng, T.S, Tan, A.W.K, Shi, J, Lok, S.M.
Deposit date:2023-06-06
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (11 Å)
Cite:Ultrapotent human antibodies lock E protein dimers of diverse DENV3 morphological variants
To Be Published
2HMZ
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BU of 2hmz by Molmil
THE STRUCTURES OF MET AND AZIDOMET HEMERYTHRIN AT 1.66 ANGSTROMS RESOLUTION
Descriptor: ACETATE ION, HEMERYTHRIN, MONOAZIDO-MU-OXO-DIIRON
Authors:Holmes, M.A, Stenkamp, R.E.
Deposit date:1990-10-18
Release date:1992-01-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structures of met and azidomet hemerythrin at 1.66 A resolution.
J.Mol.Biol., 220, 1991
2HMQ
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BU of 2hmq by Molmil
THE STRUCTURES OF MET AND AZIDOMET HEMERYTHRIN AT 1.66 ANGSTROMS RESOLUTION
Descriptor: ACETATE ION, HEMERYTHRIN, MU-OXO-DIIRON
Authors:Holmes, M.A, Stenkamp, R.E.
Deposit date:1990-10-18
Release date:1992-01-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structures of met and azidomet hemerythrin at 1.66 A resolution.
J.Mol.Biol., 220, 1991
4MSL
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BU of 4msl by Molmil
Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with AF40431
Descriptor: N-[(7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]-L-leucine, Sortilin, TETRAETHYLENE GLYCOL, ...
Authors:Andersen, J.L, Strandbygaard, D, Thirup, S.
Deposit date:2013-09-18
Release date:2014-02-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification of the first small-molecule ligand of the neuronal receptor sortilin and structure determination of the receptor-ligand complex.
Acta Crystallogr.,Sect.D, 70, 2014
4N58
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BU of 4n58 by Molmil
Crystal Structure of Pectocin M2 at 1.86 Angstroms
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Grinter, R, Roszak, A.W, Zeth, K, Cogdell, C.J, Walker, D.
Deposit date:2013-10-09
Release date:2014-06-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure of the atypical bacteriocin pectocin M2 implies a novel mechanism of protein uptake.
Mol.Microbiol., 93, 2014
4N7E
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BU of 4n7e by Molmil
Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with AF38469
Descriptor: 2-[(6-methylpyridin-2-yl)carbamoyl]-5-(trifluoromethyl)benzoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sortilin, ...
Authors:Andersen, J.L, Strandbygaard, D, Thirup, S.
Deposit date:2013-10-15
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The identification of AF38469: An orally bioavailable inhibitor of the VPS10P family sorting receptor Sortilin.
Bioorg.Med.Chem.Lett., 24, 2014
4N59
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BU of 4n59 by Molmil
The Crystal Structure of Pectocin M2 at 2.3 Angstroms
Descriptor: CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, Pectocin M2, ...
Authors:Zeth, K, Grinter, R, Roszak, A.W, Cogdell, R.J, Walker, D.
Deposit date:2013-10-09
Release date:2014-06-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the atypical bacteriocin pectocin M2 implies a novel mechanism of protein uptake.
Mol.Microbiol., 93, 2014

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