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7MNO
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BU of 7mno by Molmil
Crystal structure of the N-terminal domain of NUP358/RanBP2 (residues 1-752) I656V mutant in complex with Fab fragment
Descriptor: Antibody Fab14 Heavy Chain, Antibody Fab14 Light Chain, E3 SUMO-protein ligase RanBP2
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (6.73 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7YEN
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BU of 7yen by Molmil
Crystal structure of the Keap1 Kelch domain in complex with Caffeic acid
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAFFEIC ACID, CALCIUM ION, ...
Authors:Wang, C, Jiang, L.
Deposit date:2022-07-06
Release date:2023-07-12
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the Keap1 Kelch domain complexed with Caffeic acid
To Be Published
8K7O
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BU of 8k7o by Molmil
De novo design protein -T03
Descriptor: De novo design protein
Authors:Wang, S, Liu, Y.
Deposit date:2023-07-27
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:De novo design protein -T03
To Be Published
6MKQ
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BU of 6mkq by Molmil
Carbapenemase VCC-1 bound to avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:Mark, B.L, Vadlamani, G.
Deposit date:2018-09-26
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Basis for the Potent Inhibition of the Emerging Carbapenemase VCC-1 by Avibactam.
Antimicrob. Agents Chemother., 63, 2019
7P2Z
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BU of 7p2z by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with cyclosulfamidate 4
Descriptor: (3~{a}~{R},4~{S},5~{S},6~{S},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-benzo[d][1,2,3]oxathiazole-4,5,6-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Roig-Zamboni, V, Kok, K, Overkleeft, H, Artola, M, Sulzenbacher, G.
Deposit date:2021-07-06
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:1,6- epi-Cyclophellitol Cyclosulfamidate Is a Bona Fide Lysosomal alpha-Glucosidase Stabilizer for the Treatment of Pompe Disease.
J.Am.Chem.Soc., 144, 2022
6ML6
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BU of 6ml6 by Molmil
ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 4 with a CpA 5mC Modification)
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*GP*(5CM)P*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*CP*GP*AP*AP*TP*T)-3'), DNA (5'-D(*TP*AP*AP*TP*TP*CP*GP*TP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ...
Authors:Horton, J.R, Cheng, X, Ren, R.
Deposit date:2018-09-26
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural basis of specific DNA binding by the transcription factor ZBTB24.
Nucleic Acids Res., 47, 2019
8V4P
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BU of 8v4p by Molmil
Crystal structure of Acetyl-CoA synthetase 2 in complex with Adenosine-5'-allylphosphate from Candida albicans
Descriptor: 5'-O-{(S)-hydroxy[(prop-2-en-1-yl)oxy]phosphoryl}adenosine, Acetyl-coenzyme A synthetase 2, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-11-29
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of Acetyl-CoA synthetase 2 in complex with Adenosine-5'-allylphosphate from Candida albicans
To be published
7P0U
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BU of 7p0u by Molmil
ORF virus encoded Bcl-2 homolog ORFV125 in complex with Puma BH3 peptide
Descriptor: 1,2-ETHANEDIOL, Activator of apoptosis harakiri, Apoptosis inhibitor, ...
Authors:Suraweera, C.D, Hinds, M.G, Kvansakul, M.
Deposit date:2021-06-30
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.99374259 Å)
Cite:Structural Investigation of Orf Virus Bcl-2 Homolog ORFV125 Interactions with BH3-Motifs from BH3-Only Proteins Puma and Hrk.
Viruses, 13, 2021
7YE3
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BU of 7ye3 by Molmil
Crystal structure of Lactobacillus rhamnosus 4-deoxy-L-threo-5-hexosulose-uronate ketol-isomerase KduI complexed with MES
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-deoxy-L-threo-5-hexosulose-uronate ketol-isomerase, ZINC ION
Authors:Yamamoto, Y, Oiki, S, Takase, R, Mikami, B, Hashimoto, W.
Deposit date:2022-07-05
Release date:2023-07-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.553 Å)
Cite:Crystal Structures of Lacticaseibacillus 4-Deoxy-L- threo- 5-hexosulose-uronate Ketol-isomerase KduI in Complex with Substrate Analogs.
J Appl Glycosci (1999), 70, 2023
5UDD
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BU of 5udd by Molmil
Crystal Structure of RSV F B9320 Bound to MEDI8897
Descriptor: Fusion glycoprotein F0, MEDI8897 Fab Heavy Chain, MEDI8897 Fab Light Chain, ...
Authors:McLellan, J.S.
Deposit date:2016-12-26
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:A highly potent extended half-life antibody as a potential RSV vaccine surrogate for all infants.
Sci Transl Med, 9, 2017
8K48
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BU of 8k48 by Molmil
LTD of arabidopsis thaliana
Descriptor: Protein LHCP TRANSLOCATION DEFECT
Authors:Wang, C, Xu, X.M.
Deposit date:2023-07-17
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of Arabidopsis thaliana LTD
To Be Published
8USJ
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BU of 8usj by Molmil
Crystal Structure of Kemp Eliminase HG198 with bound transition state analogue, 280 K
Descriptor: 6-NITROBENZOTRIAZOLE, Kemp eliminase
Authors:Seifinoferest, B.
Deposit date:2023-10-27
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
5H2W
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BU of 5h2w by Molmil
Crystal structure of the karyopherin Kap60p bound to the SUMO protease Ulp1p (150-340)
Descriptor: Importin subunit alpha, Ubiquitin-like-specific protease 1
Authors:Hirano, H, Matsuura, Y.
Deposit date:2016-10-18
Release date:2016-12-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of the Karyopherins Kap121p and Kap60p Bound to the Nuclear Pore-Targeting Domain of the SUMO Protease Ulp1p
J. Mol. Biol., 429, 2017
7V6D
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BU of 7v6d by Molmil
Structure of lipase B from Lasiodiplodia theobromae
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Lipase B
Authors:Xue, B, Zhang, H.F, Nguyen, G.K.T, Yew, W.S.
Deposit date:2021-08-20
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Novel Lipase from Lasiodiplodia theobromae Efficiently Hydrolyses C8-C10 Methyl Esters for the Preparation of Medium-Chain Triglycerides' Precursors.
Int J Mol Sci, 22, 2021
8UZ8
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BU of 8uz8 by Molmil
Crystal Structure of CiaD from Campylobacter jejuni (C-terminal fragment, Orthorhombic P form)
Descriptor: 1,4-BUTANEDIOL, 2-oxoglutarate:acceptor oxidoreductase, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-11-14
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structure of CiaD from Campylobacter jejuni (C-terminal fragment, Orthorhombic P form)
To be published
8SA9
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BU of 8sa9 by Molmil
Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes, PLP-Oxamate Adduct (C2 form)
Descriptor: CITRATE ANION, Cystathionine beta-lyase, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-03-31
Release date:2023-04-12
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes, PLP-Oxamate Adduct (C2 form)
To be published
8SBY
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BU of 8sby by Molmil
Crystal Structure of 2,3-dihydro-2,3-dihydroxybenzoate dehydrogenase from Klebsiella aerogenes (NAD and sulfate bound, hexagonal form)
Descriptor: 2,3-dihydroxybenzoate-2,3-dehydrogenase, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-04-04
Release date:2023-04-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of 2,3-dihydro-2,3-dihydroxybenzoate dehydrogenase from Klebsiella aerogenes (NAD and sulfate bound, hexagonal form)
To be published
7P0S
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BU of 7p0s by Molmil
ORF virus encoded Bcl-2 homolog ORFV125 in complex with Puma BH3 peptide
Descriptor: Apoptosis inhibitor, Bcl-2-binding component 3, isoforms 1/2
Authors:Suraweera, C.D, Hinds, M.G, Kvansakul, M.
Deposit date:2021-06-30
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.50315881 Å)
Cite:Structural Investigation of Orf Virus Bcl-2 Homolog ORFV125 Interactions with BH3-Motifs from BH3-Only Proteins Puma and Hrk.
Viruses, 13, 2021
7MNN
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BU of 7mnn by Molmil
Crystal structure of the N-terminal domain of NUP358/RanBP2 (residues 1-752) T653I mutant in complex with Fab fragment
Descriptor: Antibody Fab14 Heavy Chain, Antibody Fab14 Light Chain, E3 SUMO-protein ligase RanBP2
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (6.7 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
8USH
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BU of 8ush by Molmil
Crystal Structure of Kemp Eliminase HG630 with bound transition state analogue, 280 K
Descriptor: 6-NITROBENZOTRIAZOLE, Kemp eliminase
Authors:Seifinoferest, B.
Deposit date:2023-10-27
Release date:2023-12-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
7VKO
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BU of 7vko by Molmil
Crystal structure of TrkA kinase with repotrectinib
Descriptor: Repotrectinib, SULFATE ION, Tyrosine-protein kinase receptor
Authors:Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A.
Deposit date:2021-09-30
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations.
Mol.Cancer Ther., 20, 2021
7VKN
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BU of 7vkn by Molmil
Crystal structure of TrkA (G595R) kinase with repotrectinib
Descriptor: Repotrectinib, SULFATE ION, Tyrosine-protein kinase receptor
Authors:Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A.
Deposit date:2021-09-30
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations.
Mol.Cancer Ther., 20, 2021
8V15
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BU of 8v15 by Molmil
Human SIRT3 bound to p53-AMC peptide, Carba-NAD, and Honokiol
Descriptor: (1P)-3',5-di(prop-2-en-1-yl)[1,1'-biphenyl]-2,4'-diol, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLN-PRO-LYS-FDL, ...
Authors:Chakrabarti, R, Ghosh, A, Guan, X, Upadhyay, A, Dumpati, R.K, Munshi, S, Roy, S, Chall, S, Rahnamoun, A, Reverdy, C, Errasti, G, Delacroix, T.
Deposit date:2023-11-19
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Computationally Driven Discovery and Characterization of SIRT3 Activating Compounds that Fully Recover Catalytic Activity under NAD+ Depletion
biorxiv, 2023
8KCN
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BU of 8kcn by Molmil
X-ray structure of 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase mutant
Descriptor: NADP-dependent (R)-specific alcohol dehydrogenase
Authors:Song, S.K, Ma, Q.Q, Lv, D.Q, Cheng, C.Y, Su, Z.D.
Deposit date:2023-08-08
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:X-ray structure of 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase mutant
to be published
6MP5
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BU of 6mp5 by Molmil
Crystal structure of native human sulfide:quinone oxidoreductase
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Sulfide:quinone oxidoreductase, mitochondrial
Authors:Jackson, M.R, Jorns, M.S, Loll, P.J.
Deposit date:2018-10-05
Release date:2019-04-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:X-Ray Structure of Human Sulfide:Quinone Oxidoreductase: Insights into the Mechanism of Mitochondrial Hydrogen Sulfide Oxidation.
Structure, 27, 2019

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PDB entries from 2024-10-30

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