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8H7K
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BU of 8h7k by Molmil
SARS-CoV-2 Mpro Double Mutant (H41A and T21I) in complex with nsp4/5 peptidyl substrate
Descriptor: 3C-like proteinase nsp5, nsp4/5 peptidyl substrate
Authors:Lin, M, Liu, X.
Deposit date:2022-10-20
Release date:2023-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H4Q
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BU of 8h4q by Molmil
Aspergillomarasmine A biosynthese complex with OPS
Descriptor: 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, Rhodanese domain-containing protein
Authors:Lu, M, Zhang, J, Wang, Z, Han, L.
Deposit date:2022-10-11
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Aspergillomarasmine A biosynthese complex with OPS
To Be Published
8H5K
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BU of 8h5k by Molmil
Crystal structure of PETase N37D/S121E/R132E/A171C/A180V/P181V/D186H/S193C/R224E/N233C/S242T/N246D/S282C mutant from Ideonella sakaiensis
Descriptor: Poly(ethylene terephthalate) hydrolase
Authors:Lee, S.H, Seo, H, Kim, K.-J.
Deposit date:2022-10-13
Release date:2023-10-25
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:A case of balance engineering exhibits kinetic relationship between mesophilic and thermophilic poly(ethylene terephthalate) depolymerases.
To Be Published
8H4H
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BU of 8h4h by Molmil
The apo structure of Aspergillomarasmine A synthetase
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Rhodanese domain-containing protein
Authors:Lu, M, Zhang, J, Wang, Z, Han, L.
Deposit date:2022-10-10
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The apo structure of Aspergillomarasmine A synthetase at 2.3 Angstroms resolution
To Be Published
6Q1K
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BU of 6q1k by Molmil
Inferred intermediate I-7 of the human antibody lineage 652
Descriptor: Fab heavy chain, Fab lambda light chain, GLYCEROL
Authors:McCarthy, K.R, Harrison, S.C.
Deposit date:2019-08-05
Release date:2019-12-18
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Affinity maturation in a human humoral response to influenza hemagglutinin.
Proc.Natl.Acad.Sci.USA, 2019
6K88
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BU of 6k88 by Molmil
RGLG1 MIDAS binds calcium ion
Descriptor: CALCIUM ION, E3 ubiquitin-protein ligase RGLG1
Authors:Wang, Q, Wu, Y.
Deposit date:2019-06-11
Release date:2020-06-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.788 Å)
Cite:RGLG1 MIDAS binds calcium ion
To Be Published
2UXH
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BU of 2uxh by Molmil
TtgR in complex with Quercetin
Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, HTH-TYPE TRANSCRIPTIONAL REGULATOR TTGR
Authors:Alguel, Y, Meng, C, Teran, W, Krell, T, Ramos, J.L, Gallegos, M.-T, Zhang, X.
Deposit date:2007-03-28
Release date:2007-05-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structures of Multidrug Binding Protein Ttgr in Complex with Antibiotics and Plant Antimicrobials.
J.Mol.Biol., 369, 2007
6K8S
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BU of 6k8s by Molmil
Crystal structure of C-domain of baterial malonyl-CoA reductase
Descriptor: GLYCEROL, NAD-dependent epimerase/dehydratase:Short-chain dehydrogenase/reductase SDR, SULFATE ION
Authors:Kim, S, Kim, K.-J.
Deposit date:2019-06-13
Release date:2020-03-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insight into bi-functional malonyl-CoA reductase.
Environ.Microbiol., 22, 2020
6Q22
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BU of 6q22 by Molmil
Coiled-coil Trimer with Glu:Aminobutyric acid:Lys Triad
Descriptor: Coiled-coil Trimer with Glu:Aminobutyric acid:Lys Triad, PENTAETHYLENE GLYCOL
Authors:Smith, M.S, Stern, K.L, Billings, W.M, Price, J.L.
Deposit date:2019-08-06
Release date:2020-04-29
Last modified:2020-05-20
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Context-Dependent Stabilizing Interactions among Solvent-Exposed Residues along the Surface of a Trimeric Helix Bundle.
Biochemistry, 59, 2020
8HOD
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BU of 8hod by Molmil
ScRIPK MUTANT-S253A, T254A
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Hypothetical protein
Authors:Fang, J.L, Zhang, M.Q.
Deposit date:2022-12-09
Release date:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Receptor-like cytoplasmic kinase ScRIPK in sugarcane regulates disease resistance and drought tolerance in Arabidopsis.
Front Plant Sci, 14, 2023
6KA1
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BU of 6ka1 by Molmil
E.coli Malate dehydrogenase
Descriptor: Malate dehydrogenase
Authors:Wang, H, Wang, M, Sun, H.
Deposit date:2019-06-19
Release date:2020-06-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.543 Å)
Cite:MDH is a major silver target in E. coli
To Be Published
8H3Z
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BU of 8h3z by Molmil
Crystal structure of the effector-binding domain of the LysR-type trasncription factor NtcB from Anabaena PCC 7120
Descriptor: IODIDE ION, NtcB
Authors:Han, S.J, Jiang, Y.L, Zhou, C.Z.
Deposit date:2022-10-09
Release date:2023-10-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:DNA looping mediates cooperative transcription activation.
Nat.Struct.Mol.Biol., 31, 2024
6K85
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BU of 6k85 by Molmil
The closed state of RGLG1 mutant-D338A
Descriptor: E3 ubiquitin-protein ligase RGLG1, MAGNESIUM ION
Authors:Wang, Q, Wu, Y.
Deposit date:2019-06-11
Release date:2020-06-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.606 Å)
Cite:The closed state of RGLG1 mutant-D338A
To Be Published
6K8A
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BU of 6k8a by Molmil
RGLG1 VWA domain with MIDAS is occupied by water
Descriptor: CALCIUM ION, E3 ubiquitin-protein ligase RGLG1
Authors:Wang, Q, Wu, Y.
Deposit date:2019-06-11
Release date:2020-06-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:RGLG1 VWA domain with MIDAS is occupied by water
To Be Published
8H2N
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BU of 8h2n by Molmil
gp96 RNA polymerase from P23-45 phage (crystal 2)
Descriptor: MAGNESIUM ION, Tape tail measure protein
Authors:Chaban, A, Sokolova, M.L, Tagami, S.
Deposit date:2022-10-06
Release date:2023-10-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (4.41 Å)
Cite:Tail-tape-fused virion and non-virion RNA polymerases of a thermophilic virus with an extremely long tail.
Nat Commun, 15, 2024
8H5F
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BU of 8h5f by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) L167F Mutant in Complex with Inhibitor Nirmatrelvir
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Lin, M, Liu, X.
Deposit date:2022-10-13
Release date:2023-10-11
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
6KCC
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BU of 6kcc by Molmil
Room temperature structure of glucose isomerase delivered in shortening B by serial millisecond crystallography
Descriptor: MAGNESIUM ION, Xylose isomerase
Authors:Nam, K.H.
Deposit date:2019-06-27
Release date:2020-05-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Shortening injection matrix for serial crystallography.
Sci Rep, 10, 2020
8H7W
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BU of 8h7w by Molmil
Crystal structure of SARS-CoV-2 main protease (Mpro) Mutant (S144A) in complex with protease inhibitor Nirmatrelvir
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Lin, M, Liu, X.
Deposit date:2022-10-21
Release date:2023-10-11
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H5O
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BU of 8h5o by Molmil
Crystal structure of PETase S121E/P181V/D186H/N233C/S242T/N246D/S282C mutant from Ideonella sakaiensis
Descriptor: Poly(ethylene terephthalate) hydrolase
Authors:Lee, S.H, Seo, H, Kim, K.-J.
Deposit date:2022-10-13
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A case of balance engineering exhibits kinetic relationship between mesophilic and thermophilic poly(ethylene terephthalate) depolymerases.
To Be Published
1INC
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BU of 1inc by Molmil
CRYSTAL STRUCTURES OF THE COMPLEX OF PORCINE PANCREATIC ELASTASE WITH TWO VALINE-DERIVED BENZOXAZINONE INHIBITORS
Descriptor: CALCIUM ION, PORCINE PANCREATIC ELASTASE, SULFATE ION, ...
Authors:Meyer, E.
Deposit date:1993-03-19
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal structures of the complex of porcine pancreatic elastase with two valine-derived benzoxazinone inhibitors.
J.Mol.Biol., 198, 1987
6KDY
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BU of 6kdy by Molmil
Crystal structure of the alpha bata heterodimer of human IDH3 in complex with NAD.
Descriptor: 1-DEOXY-1-THIO-HEPTAETHYLENE GLYCOL, HEXAETHYLENE GLYCOL, Isocitrate dehydrogenase [NAD] subunit alpha, ...
Authors:Sun, P, Ding, J.
Deposit date:2019-07-03
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Molecular basis for the function of the alpha beta heterodimer of human NAD-dependent isocitrate dehydrogenase.
J.Biol.Chem., 294, 2019
2UXZ
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BU of 2uxz by Molmil
Two-Carbon-Elongated HIV-1 Protease Inhibitors with a Tertiary- Alcohol-Containing Transition-State Mimic
Descriptor: HIV-1 PROTEASE, METHYL [(1S)-1-({2-[(4R)-4-BENZYL-4-HYDROXY-5-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-5-OXOPENTYL]-2-(4-BROMOBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE
Authors:Ginman, N, Samuelsson, B, Hallberg, A, Unge, J.T, Unge, T.K.
Deposit date:2007-04-02
Release date:2008-05-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Two-Carbon-Elongated HIV-1 Protease Inhibitors with a Tertiary-Alcohol-Containing Transition-State Mimic.
J.Med.Chem., 51, 2008
8H28
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BU of 8h28 by Molmil
Crystal structure of the K87V mutant of cytochrome c' from Shewanella benthica DB6705
Descriptor: Class II cytochrome c, HEME C
Authors:Fujii, S, Sakaguchi, R, Oki, H, Kawahara, K, Ohkubo, T, Fujiyoshi, S, Sambongi, Y.
Deposit date:2022-10-05
Release date:2023-10-11
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Contribution of a surface salt bridge to the protein stability of deep-sea Shewanella benthica cytochrome c'.
J.Struct.Biol., 215, 2023
2UY0
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BU of 2uy0 by Molmil
Two-Carbon-Elongated HIV-1 Protease Inhibitors with a Tertiary- Alcohol-Containing Transition-State Mimic
Descriptor: HIV-1 PROTEASE, METHYL [(1S)-1-({2-[(4R)-4-BENZYL-4-HYDROXY-5-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-5-OXOPENTANOYL]-2-(4-BROMOBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE
Authors:Ginman, N, Samuelsson, B, Hallberg, A, Unge, J.T, Unge, T.K.
Deposit date:2007-04-02
Release date:2008-05-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Two-Carbon-Elongated HIV-1 Protease Inhibitors with a Tertiary-Alcohol-Containing Transition-State Mimic.
J.Med.Chem., 51, 2008
6KBH
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BU of 6kbh by Molmil
Crystal structure of an intact type IV self-sufficient cytochrome P450 monooxygenase
Descriptor: Cytochrome P450 monooxygenase, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Gong, R, Wu, L.J, Zhang, Y, Liu, Z, Dou, S, Zhang, R.G, Xu, J.H, Tang, C, Zhou, J.H.
Deposit date:2019-06-25
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of an intact type IV self-sufficient cytochrome P450 monooxygenase
To Be Published

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