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6Y86
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BU of 6y86 by Molmil
Active YidC insertase crystal structure with the first transmembrane domain resolved
Descriptor: Membrane protein insertase YidC
Authors:Li, X.D, Nass, K.
Deposit date:2020-03-03
Release date:2021-09-22
Last modified:2022-04-06
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The role of the N-terminal amphipathic helix in bacterial YidC: Insights from functional studies, the crystal structure and molecular dynamics simulations.
Biochim Biophys Acta Biomembr, 1864, 2022
5F3H
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BU of 5f3h by Molmil
Structure of myostatin in complex with humanized RK35 antibody
Descriptor: Growth/differentiation factor 8, humanized RK35 antibody heavy chain, humanized RK35 antibody light chain
Authors:Parris, K.D, Mosyak, L.
Deposit date:2015-12-02
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Beyond CDR-grafting: Structure-guided humanization of framework and CDR regions of an anti-myostatin antibody.
Mabs, 8, 2016
5F3B
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BU of 5f3b by Molmil
Structure of myostatin in complex with chimeric RK35 antibody
Descriptor: GLYCEROL, Growth/differentiation factor 8, RK35 Chimeric antibody heavy chain, ...
Authors:Parris, K.D, Mosyak, L.
Deposit date:2015-12-02
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Beyond CDR-grafting: Structure-guided humanization of framework and CDR regions of an anti-myostatin antibody.
Mabs, 8, 2016
5N0H
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BU of 5n0h by Molmil
Crystal structure of NDM-1 in complex with hydrolyzed meropenem - new refinement
Descriptor: (2S,3R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid, GLYCEROL, Metallo-beta-lactamase type 2, ...
Authors:Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A, King, D.T, Strynadka, N.C.J.
Deposit date:2017-02-03
Release date:2017-04-05
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
5N0I
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BU of 5n0i by Molmil
Crystal structure of NDM-1 in complex with beta-mercaptoethanol - new refinement
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, GLYCEROL, ...
Authors:Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A, King, D.T, Strynadka, N.C.J.
Deposit date:2017-02-03
Release date:2017-04-05
Last modified:2018-12-26
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
3K3E
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BU of 3k3e by Molmil
Crystal structure of the PDE9A catalytic domain in complex with (R)-BAY73-6691
Descriptor: 1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
Authors:Wang, H, Luo, X, Ye, M, Hou, J, Robinson, H, Ke, H.
Deposit date:2009-10-02
Release date:2010-02-16
Last modified:2013-11-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Insight into Binding of Phosphodiesterase-9A Selective Inhibitors by Crystal Structures and Mutagenesis
J.Med.Chem., 53, 2010
7A58
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BU of 7a58 by Molmil
NOE-only solution structure of the Iron-Sulfur protein PioC from Rhodopseudomonas palustris TIE-1
Descriptor: IRON/SULFUR CLUSTER, PioC
Authors:Cantini, F, Trindade, I.
Deposit date:2020-08-20
Release date:2020-11-11
Last modified:2021-05-12
Method:SOLUTION NMR
Cite:PRE-driven protein NMR structures: an alternative approach in highly paramagnetic systems.
Febs J., 288, 2021
6ZMM
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BU of 6zmm by Molmil
Crystal structure of human NDRG1
Descriptor: CHLORIDE ION, Protein NDRG1
Authors:Mustonen, V, Kursula, P, Ruskamo, S.
Deposit date:2020-07-03
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Crystal and solution structure of NDRG1, a membrane-binding protein linked to myelination and tumour suppression.
Febs J., 288, 2021
7CYG
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BU of 7cyg by Molmil
Crystal structure of a cysteine-pair mutant (Y113C-P190C) of a bacterial bile acid transporter before disulfide bond formation
Descriptor: Transporter, sodium/bile acid symporter family
Authors:Wang, X, Lyu, Y, Ji, Y, Sun, Z, Zhou, X.
Deposit date:2020-09-03
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.198 Å)
Cite:An engineered disulfide bridge traps and validates an outward-facing conformation in a bile acid transporter.
Acta Crystallogr D Struct Biol, 77, 2021
7A4L
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BU of 7a4l by Molmil
PRE-only solution structure of the Iron-Sulfur protein PioC from Rhodopseudomonas palustris TIE-1
Descriptor: IRON/SULFUR CLUSTER, PioC
Authors:Trindade, I, Invernici, M, Cantini, F, Louro, R, Piccioli, M.
Deposit date:2020-08-19
Release date:2020-11-11
Last modified:2021-05-12
Method:SOLUTION NMR
Cite:PRE-driven protein NMR structures: an alternative approach in highly paramagnetic systems.
Febs J., 288, 2021
7CYK
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BU of 7cyk by Molmil
Crystal structure of a second cysteine-pair mutant (V110C-I197C) of a bacterial bile acid transporter before disulfide bond formation
Descriptor: MERCURY (II) ION, Transporter, sodium/bile acid symporter family
Authors:Wang, X, Lyu, Y, Ji, Y, Sun, Z, Zhou, X.
Deposit date:2020-09-03
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.785 Å)
Cite:An engineered disulfide bridge traps and validates an outward-facing conformation in a bile acid transporter.
Acta Crystallogr D Struct Biol, 77, 2021
6PX2
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BU of 6px2 by Molmil
Acropora millepora GAPDH
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION
Authors:Brandt, G.S, Fields, P.A.
Deposit date:2019-07-24
Release date:2019-12-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Thermal stability and structure of glyceraldehyde-3-phosphate dehydrogenase from the coral Acropora millepora.
Rsc Adv, 11, 2021
5FUO
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BU of 5fuo by Molmil
Extending the half-life of a Fab fragment through generation of a humanised anti-Human Serum Albumin (HSA) Fv domain: an investigation into the correlation between affinity and serum half-life
Descriptor: FAB HEAVY CHAIN, FAB LIGHT CHAIN, SERUM ALBUMIN
Authors:Adams, R, Ceska, T.
Deposit date:2016-01-28
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Extending the Half-Life of a Fab Fragment Through Generation of a Humanized Anti-Human Serum Albumin Fv Domain: An Investigation Into the Correlation between Affinity and Serum Half-Life.
Mabs, 8, 2016
7D17
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BU of 7d17 by Molmil
Crystal structure of Macrostomum lignano glutaminyl cyclase
Descriptor: Glutaminyl-peptide cyclotransferase, ZINC ION
Authors:Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J.
Deposit date:2020-09-14
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.998 Å)
Cite:A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
7D1D
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BU of 7d1d by Molmil
Crystal structure of Bacteroides thetaiotaomicron glutaminyl cyclase bound to 1-benzylimidazole
Descriptor: 1-BENZYL-1H-IMIDAZOLE, Glutamine cyclotransferase, ZINC ION
Authors:Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J.
Deposit date:2020-09-14
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
7D1E
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BU of 7d1e by Molmil
Crystal structure of Bacteroides thetaiotaomicron glutaminyl cyclase bound to N-acetylhistamine
Descriptor: Leucine aminopeptidase, N-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDE, ZINC ION
Authors:Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J.
Deposit date:2020-09-14
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
7TTZ
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BU of 7ttz by Molmil
Heterodimeric IgA Fc in complex with Staphylococcus aureus protein SSL7
Descriptor: 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Boulanger, M.J, Verstraete, M, Heinkel, F, Escobar, E, Dixit, S, Von Kreudenstein, T.S.
Deposit date:2022-02-02
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Engineering a pure and stable heterodimeric IgA for the development of multispecific therapeutics.
Mabs, 14, 2022
6PT8
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BU of 6pt8 by Molmil
Crystal Structure of CobT from Methanocaldococcus jannaschii in complex with Adenine Alpha-Ribotide and Nicotinic Acid
Descriptor: ALPHA-ADENOSINE MONOPHOSPHATE, NICOTINIC ACID, PHOSPHATE ION, ...
Authors:Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante, J.C, Rayment, I.
Deposit date:2019-07-15
Release date:2020-07-22
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria.
Sci Rep, 12, 2022
7U9K
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BU of 7u9k by Molmil
Staphylococcus aureus D-alanine-D-alanine ligase in complex with ATP, D-ala-D-ala, Mg2+ and K+
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, D-alanine--D-alanine ligase, ...
Authors:Pederick, J.L, Bruning, J.B.
Deposit date:2022-03-10
Release date:2023-03-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-guided design and synthesis of ATP-competitive N-acyl-substituted sulfamide d-alanine-d-alanine ligase inhibitors.
Bioorg.Med.Chem., 96, 2023
6PTF
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BU of 6ptf by Molmil
Crystal Structure of CobT from Methanocaldococcus jannaschii in Apo State
Descriptor: UPF0284 protein MJ1598
Authors:Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante-Semerena, J.C, Rayment, I.
Deposit date:2019-07-15
Release date:2020-07-22
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria.
Sci Rep, 12, 2022
5OFT
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BU of 5oft by Molmil
Structural basis for OXA-48 dimerization
Descriptor: Beta-lactamase
Authors:Lund, B.A, Nesheim, B.H.B, Leiros, H.K.S.
Deposit date:2017-07-11
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The biological assembly of OXA-48 reveals a dimer interface with high charge complementarity and very high affinity.
FEBS J., 285, 2018
8GW5
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BU of 8gw5 by Molmil
Crystal structure of SaSsbA complexed with glycerol
Descriptor: GLYCEROL, Single-stranded DNA-binding protein
Authors:Yang, P.C, Huang, H.Y, Huang, C.Y.
Deposit date:2022-09-16
Release date:2023-09-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of DNA Replication Protein SsbA Complexed with the Anticancer Drug 5-Fluorouracil.
Int J Mol Sci, 24, 2023
1A3N
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BU of 1a3n by Molmil
DEOXY HUMAN HEMOGLOBIN
Descriptor: HEMOGLOBIN (ALPHA CHAIN), HEMOGLOBIN (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE
Authors:Tame, J, Vallone, B.
Deposit date:1998-01-22
Release date:1998-04-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structures of deoxy human haemoglobin and the mutant Hb Tyralpha42His at 120 K.
Acta Crystallogr.,Sect.D, 56, 2000
8I5T
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BU of 8i5t by Molmil
Crystal structure of TxGH116 D593N acid/base mutant from Thermoanaerobacterium xylanolyticum with cellobiose
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Pengthaisong, S, Ketudat Cairns, J.R.
Deposit date:2023-01-26
Release date:2023-05-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation.
Acs Catalysis, 13, 2023
8I5S
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BU of 8i5s by Molmil
Crystal structure of TxGH116 D593N acid/base mutant from Thermoanaerobacterium xylanolyticum with 2-deoxy-2-fluoroglucoside
Descriptor: 1,2-ETHANEDIOL, 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside, 2-deoxy-2-fluoro-alpha-D-glucopyranose, ...
Authors:Pengthaisong, S, Ketudat Cairns, J.R.
Deposit date:2023-01-26
Release date:2023-05-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation.
Acs Catalysis, 13, 2023

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