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7UAU
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BU of 7uau by Molmil
The crystal structure of the K137A mutant of E. coli YGGS in complex with PLP
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Pyridoxal phosphate homeostasis protein, SULFATE ION
Authors:Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K.
Deposit date:2022-03-14
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability.
Protein Sci., 31, 2022
7UB8
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BU of 7ub8 by Molmil
The crystal structure of the K38A/K137A/K233A/K234A quadruple mutant of E. coli YGGS in complex with PLP
Descriptor: 1,4-BUTANEDIOL, PYRIDOXAL-5'-PHOSPHATE, Pyridoxal phosphate homeostasis protein
Authors:Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K.
Deposit date:2022-03-14
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability.
Protein Sci., 31, 2022
7UBQ
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BU of 7ubq by Molmil
The crystal structure of the wild-type of E. coli YGGS in complex with PNP
Descriptor: PYRIDOXINE-5'-PHOSPHATE, Pyridoxal phosphate homeostasis protein
Authors:Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K.
Deposit date:2022-03-15
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability.
Protein Sci., 31, 2022
7UBP
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BU of 7ubp by Molmil
The crystal structure of the K36A/K137A double mutant of E. coli YGGS in complex with PLP
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Pyridoxal phosphate homeostasis protein, SULFATE ION
Authors:Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K.
Deposit date:2022-03-15
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability.
Protein Sci., 31, 2022
7UD7
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BU of 7ud7 by Molmil
Crystal structure of deoxygenated hemoglobin in complex with 5HMF-NO at 1.8 Angstrom
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Donkor, A.K, Musayev, F.N, Safo, M.K.
Deposit date:2022-03-18
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design, Synthesis, and Antisickling Investigation of a Nitric Oxide-Releasing Prodrug of 5HMF for the Treatment of Sickle Cell Disease.
Biomolecules, 12, 2022
8GXE
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BU of 8gxe by Molmil
PTPN21 FERM PTP complex
Descriptor: CHLORIDE ION, Tyrosine-protein phosphatase non-receptor type 21
Authors:Chen, L, Zheng, Y.Y, Zhou, C.
Deposit date:2022-09-19
Release date:2023-09-27
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural analysis of PTPN21 reveals a dominant-negative effect of the FERM domain on its phosphatase activity.
Sci Adv, 10, 2024
7UF6
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BU of 7uf6 by Molmil
Crystal structure of liganded Hb with the 5-HMF analog, MMA509
Descriptor: (2S)-2-(5-methylfuran-2-yl)oxane, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
Authors:Donkor, A.K, Musayev, F.N, Safo, M.K.
Deposit date:2022-03-22
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Improving the antisickling activity of furaldehyde
To be published
7UB4
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BU of 7ub4 by Molmil
The crystal structure of the K36A/K38A/K233A/K234A quadruple mutant of E. coli YGGS in complex with PLP
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Pyridoxal phosphate homeostasis protein
Authors:Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K.
Deposit date:2022-03-14
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability.
Protein Sci., 31, 2022
8CA5
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BU of 8ca5 by Molmil
Cryo-EM structure NDUFS4 knockout complex I from Mus musculus heart (Class 3).
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Yin, Z, Bridges, H.R, Agip, A.N.A, Hirst, J.
Deposit date:2023-01-24
Release date:2023-12-20
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural insights into respiratory complex I deficiency and assembly from the mitochondrial disease-related ndufs4 -/- mouse.
Embo J., 43, 2024
7UD8
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BU of 7ud8 by Molmil
Crystal structure of carbon monoxy Hemoglobin in complex with 5HMF at 1.8 Angstrom
Descriptor: (5-methylfuran-2-yl)methanol, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Donkor, A.K, Musayev, F.N, Safo, M.S.
Deposit date:2022-03-18
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design, Synthesis, and Antisickling Investigation of a Nitric Oxide-Releasing Prodrug of 5HMF for the Treatment of Sickle Cell Disease.
Biomolecules, 12, 2022
8BY1
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BU of 8by1 by Molmil
streptavidin with an iridium catalyst for CH activation
Descriptor: SULFATE ION, Streptavidin, tert-butyl 7'-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-chloranyl-2,3,4,5,6-pentamethyl-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,2'-3-aza-1-azonia-2$l^{8}-iridatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaene]-3'-carboxylate
Authors:Igareta, N.V, Ward, T.R.
Deposit date:2022-12-11
Release date:2023-12-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.486 Å)
Cite:streptavidin mutant S112I with an iridium catalyst for CH activation
To Be Published
8CHB
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BU of 8chb by Molmil
Inward-facing conformation of the ABC transporter BmrA C436S/A582C cross-linked mutant
Descriptor: Multidrug resistance ABC transporter ATP-binding/permease protein BmrA
Authors:Di Cesare, M, Kaplan, E, Hanssen, E, Valimehr, S, Orelle, C, Jault, J.M.
Deposit date:2023-02-07
Release date:2023-12-20
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:The transport activity of the multidrug ABC transporter BmrA does not require a wide separation of the nucleotide-binding domains.
J.Biol.Chem., 300, 2023
7UF7
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BU of 7uf7 by Molmil
Crystal structure of liganded Hb with the 5-HMF analog, MMA503
Descriptor: (5P)-5-(5-methylfuran-2-yl)-1H-pyrazole, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
Authors:Donkor, A.K, Musayev, F.N, Safo, M.K.
Deposit date:2022-03-22
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Improving the antisickling activity of furaldehyde
To be published
8BY0
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BU of 8by0 by Molmil
streptavidin mutant S112I K121R with an iridium catalyst for CH activation
Descriptor: SULFATE ION, Streptavidin, tert-butyl 7'-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-chloranyl-2,3,4,5,6-pentamethyl-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,2'-3-aza-1-azonia-2$l^{8}-iridatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaene]-3'-carboxylate
Authors:Igareta, N.V, Ward, T.R.
Deposit date:2022-12-11
Release date:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:streptavidin mutant S112I with an iridium catalyst for CH activation
To Be Published
6MKK
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BU of 6mkk by Molmil
Crystallographic solvent mapping analysis of DMSO/Mg bound to APE1
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, DNA-(apurinic or apyrimidinic site) lyase, ...
Authors:Georgiadis, M.M, He, H, Chen, Q.
Deposit date:2018-09-25
Release date:2019-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.442 Å)
Cite:Discovery of Macrocyclic Inhibitors of Apurinic/Apyrimidinic Endonuclease 1.
J. Med. Chem., 62, 2019
8C2S
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BU of 8c2s by Molmil
Cryo-EM structure NDUFS4 knockout complex I from Mus musculus heart (Class 1).
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Yin, Z, Bridges, H.R, Agip, A.N.A, Hirst, J.
Deposit date:2022-12-22
Release date:2023-12-20
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural insights into respiratory complex I deficiency and assembly from the mitochondrial disease-related ndufs4 -/- mouse.
Embo J., 43, 2024
8BXG
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BU of 8bxg by Molmil
Structure of the K/H exchanger KefC.
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, ADENOSINE MONOPHOSPHATE, Glutathione-regulated potassium-efflux system protein KefC, ...
Authors:Gulati, A, Drew, D.
Deposit date:2022-12-08
Release date:2023-12-20
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Structure and mechanism of the K + /H + exchanger KefC.
Nat Commun, 15, 2024
8CA3
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BU of 8ca3 by Molmil
Cryo-EM structure NDUFS4 knockout complex I from Mus musculus heart (Class 2).
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Yin, Z, Bridges, H.R, Agip, A.N.A, Hirst, J.
Deposit date:2023-01-24
Release date:2023-12-20
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural insights into respiratory complex I deficiency and assembly from the mitochondrial disease-related ndufs4 -/- mouse.
Embo J., 43, 2024
8CA1
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BU of 8ca1 by Molmil
Cryo-EM structure of the ACADVL dimer from Mus musculus.
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Very long-chain specific acyl-CoA dehydrogenase, mitochondrial
Authors:Yin, Z, Bridges, H.R, Agip, A.N.A, Hirst, J.
Deposit date:2023-01-24
Release date:2023-12-20
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural insights into respiratory complex I deficiency and assembly from the mitochondrial disease-related ndufs4 -/- mouse.
Embo J., 43, 2024
8H40
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BU of 8h40 by Molmil
Cryo-EM structure of the transcription activation complex NtcA-TAC
Descriptor: DNA (125-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Han, S.J, Jiang, Y.L, You, L.L, Shen, L.Q, Wu, X.X, Yang, F, Kong, W.W, Chen, Z.P, Zhang, Y, Zhou, C.Z.
Deposit date:2022-10-09
Release date:2023-10-04
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:DNA looping mediates cooperative transcription activation.
Nat.Struct.Mol.Biol., 31, 2024
7UB0
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BU of 7ub0 by Molmil
SARS-CoV-2 Omicron-BA.2 3-RBD down Spike Protein Trimer without the P986-P987 stabilizing mutations (S-GSAS-Omicron-BA.2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Stalls, V, Acharya, P.
Deposit date:2022-03-14
Release date:2022-04-20
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite:Cryo-EM structures of SARS-CoV-2 Omicron BA.2 spike.
Cell Rep, 39, 2022
8BY2
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BU of 8by2 by Molmil
Structure of the K+/H+ exchanger KefC with GSH.
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, ADENOSINE MONOPHOSPHATE, GLUTATHIONE, ...
Authors:Gulati, A, Drew, D.
Deposit date:2022-12-11
Release date:2023-12-27
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Structure and mechanism of the K + /H + exchanger KefC.
Nat Commun, 15, 2024
8HID
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BU of 8hid by Molmil
HUMAN ERYTHROCYTE CATALSE COMPLEXED WITH BT-Br
Descriptor: (~{S})-azanyl-[2-[[3-bromanyl-4-(diethylamino)phenyl]methyl]hydrazinyl]methanethiol, Catalase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lin, H.-Y, Yang, G.-F.
Deposit date:2022-11-19
Release date:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A catalase inhibitor: Targeting the NADPH-binding site for castration-resistant prostate cancer therapy.
Redox Biol, 63, 2023
8CN9
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BU of 8cn9 by Molmil
Factor VII binding Fab of the bispecific antibody HMB-001 in complex with Factor VII
Descriptor: CALCIUM ION, CESIUM ION, Coagulation factor VII, ...
Authors:Schluckebier, G, Johansson, E.
Deposit date:2023-02-22
Release date:2023-12-27
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:A bispecific antibody approach for the potential prophylactic treatment of inherited bleeding disorders.
Nat Cardiovasc Res, 3, 2024
7UB6
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BU of 7ub6 by Molmil
SARS-CoV-2 Omicron-BA.2 3-RBD down Spike Protein Trimer without the P986-P987 stabilizing mutations (S-GSAS-Omicron-BA.2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Stalls, V, Acharya, P.
Deposit date:2022-03-14
Release date:2022-04-20
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Cryo-EM structures of SARS-CoV-2 Omicron BA.2 spike.
Cell Rep, 39, 2022

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PDB entries from 2024-09-11

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