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8I1N
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BU of 8i1n by Molmil
Crystal structure of APSK2 domain from human PAPSS2 in complex with endogenous APS and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2
Authors:Zhang, L, Song, W.Y, Zhang, L.
Deposit date:2023-01-13
Release date:2023-06-28
Last modified:2023-07-19
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
4IH3
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BU of 4ih3 by Molmil
2.5 Angstroms X-ray crystal structure of of human 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase in complex with dipicolinic acid
Descriptor: 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase, PYRIDINE-2,6-DICARBOXYLIC ACID, ZINC ION
Authors:Huo, L, Liu, A.
Deposit date:2012-12-18
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:Human alpha-amino-beta-carboxymuconate-epsilon-semialdehyde decarboxylase (ACMSD): A structural and mechanistic unveiling.
Proteins, 83, 2015
5H6X
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BU of 5h6x by Molmil
The crystal structure of RpoS fragment including a partial region 1.2 and region 2 from intracellular pathogen Legionella pneumophila
Descriptor: GLYCEROL, RNA polymerase sigma factor RpoS, SODIUM ION
Authors:Zhang, N, Chen, X, Gong, X, Ge, H.
Deposit date:2016-11-15
Release date:2017-11-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High-Resolution Crystal Structure of RpoS Fragment including a Partial Region 1.2 and Region 2 from the Intracellular Pathogen Legionella pneumophila
Crystals, 8, 2018
4KIN
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BU of 4kin by Molmil
Crystal structure of mitogen-activated protein kinase 14 (P38-H5) complex with 5-(2-CHLOROPHENYL)-N-(5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)-2-THIOPHENECARBOXAMIDE
Descriptor: 5-(2-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide, Mitogen-activated protein kinase 14
Authors:Sack, J.S, Tokarski, J.S.
Deposit date:2013-05-02
Release date:2013-06-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:The Identification of Novel P38-Alpha Isoform Selective Kinase Inhibitors Having an Unprecedented P38-Alpha Binding Mode
Bioorg.Med.Chem.Lett., 23, 2013
5HZR
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BU of 5hzr by Molmil
Crystal structure of MtSnf2
Descriptor: 3-(1-methylpiperidinium-1-yl)propane-1-sulfonate, SNF2-family ATP dependent chromatin remodeling factor like protein, SODIUM ION, ...
Authors:Chen, Z.C, Xia, X.
Deposit date:2016-02-02
Release date:2016-07-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure of chromatin remodeler Swi2/Snf2 in the resting state
Nat.Struct.Mol.Biol., 23, 2016
1YCB
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BU of 1ycb by Molmil
DISTAL POCKET POLARITY IN LIGAND BINDING TO MYOGLOBIN: DEOXY AND CARBONMONOXY FORMS OF A THREONINE68 (E11) MUTANT INVESTIGATED BY X-RAY CRYSTALLOGRAPHY AND INFRARED SPECTROSCOPY
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Cameron, A.D, Smerdon, S.J, Wilkinson, A.J, Habash, J, Helliwell, J.R.
Deposit date:1993-08-10
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Distal pocket polarity in ligand binding to myoglobin: deoxy and carbonmonoxy forms of a threonine68(E11) mutant investigated by X-ray crystallography and infrared spectroscopy.
Biochemistry, 32, 1993
1YCA
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BU of 1yca by Molmil
DISTAL POCKET POLARITY IN LIGAND BINDING TO MYOGLOBIN: DEOXY AND CARBONMONOXY FORMS OF A THREONINE68 (E11) MUTANT INVESTIGATED BY X-RAY CRYSTALLOGRAPHY AND INFRARED SPECTROSCOPY
Descriptor: CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Cameron, A.D, Smerdon, S.J, Wilkinson, A.J, Habash, J, Helliwell, J.R.
Deposit date:1993-08-10
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Distal pocket polarity in ligand binding to myoglobin: deoxy and carbonmonoxy forms of a threonine68(E11) mutant investigated by X-ray crystallography and infrared spectroscopy.
Biochemistry, 32, 1993
4KIQ
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BU of 4kiq by Molmil
Crystal structure of mitogen-activated protein kinase 14 (P38-H5) complex with ETHYL 6-((5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)CARBAMOYL)-1H-INDOLE-1-CARBOXYLATE
Descriptor: Mitogen-activated protein kinase 14, ethyl 6-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl}-1H-indole-1-carboxylate
Authors:Sack, J.S, Tokarski, J.S.
Deposit date:2013-05-02
Release date:2013-06-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Identification of Novel P38-Alpha Isoform Selective Kinase Inhibitors Having an Unprecedented P38-Alpha Binding Mode
Bioorg.Med.Chem.Lett., 23, 2013
4KIP
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BU of 4kip by Molmil
Crystal structure of mitogen-activated protein kinase 14 (P38-H5) complex with 2-(2-CHLOROPHENYL)-N-(5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)-1,3-THIAZOLE-5-CARBOXAMIDE
Descriptor: 2-(2-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide, Mitogen-activated protein kinase 14
Authors:Sack, J.S, Tokarski, J.S.
Deposit date:2013-05-02
Release date:2013-06-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:The Identification of Novel P38-Alpha Isoform Selective Kinase Inhibitors Having an Unprecedented P38-Alpha Binding Mode
Bioorg.Med.Chem.Lett., 23, 2013
7CLI
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BU of 7cli by Molmil
Structure of NF-kB p52 homodimer bound to P-Selectin kB DNA fragment
Descriptor: DNA (5'-D(*CP*AP*AP*GP*GP*GP*GP*TP*CP*AP*CP*CP*CP*CP*CP*TP*TP*C)-3'), DNA (5'-D(*GP*AP*AP*GP*GP*GP*GP*GP*TP*GP*AP*CP*CP*CP*CP*TP*TP*G)-3'), Nuclear factor NF-kappa-B p52 subunit
Authors:Meshcheryakov, V.A, Wang, V.Y.-F.
Deposit date:2020-07-21
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of NF-kappa B p52 homodimer-DNA complexes rationalize binding mechanisms and transcription activation.
Elife, 12, 2023
8J30
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BU of 8j30 by Molmil
Crystal structure of ApNGT with Q469A and M218A mutations in complex with UDP-GLC
Descriptor: UDP-glucose:protein N-beta-glucosyltransferase, URIDINE-5'-DIPHOSPHATE, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Feng, Y, Hao, Z, Guo, Q, Zheng, J, Da, L, Peng, W.
Deposit date:2023-04-15
Release date:2023-08-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Investigation of the Catalytic Mechanism of a Soluble N-glycosyltransferase Allows Synthesis of N-glycans at Noncanonical Sequons.
Jacs Au, 3, 2023
8JHQ
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BU of 8jhq by Molmil
Cryo-EM structure of human S1P transporter SPNS2 bound with S1P
Descriptor: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Sphingosine-1-phosphate transporter SPNS2,GlgA glycogen synthase
Authors:Pang, B, Yu, L.Y, Ren, R.B.
Deposit date:2023-05-25
Release date:2024-01-10
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Molecular basis of Spns2-facilitated sphingosine-1-phosphate transport.
Cell Res., 34, 2024
8JHR
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BU of 8jhr by Molmil
Cryo-EM structure of human S1P transporter SPNS2 bound with an inhibitor 16d
Descriptor: 3-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine, Sphingosine-1-phosphate transporter SPNS2
Authors:Pang, B, Yu, L.Y, Ren, R.B.
Deposit date:2023-05-25
Release date:2024-01-10
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Molecular basis of Spns2-facilitated sphingosine-1-phosphate transport.
Cell Res., 34, 2024
8JKK
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BU of 8jkk by Molmil
Crystal Structure of the dioxygenase CcTet from Coprinopsis cinerea bound to 12bp 5-methylcytosine (5mC) containing duplex DNA
Descriptor: 2OGFeDO JBP1/TET oxygenase domain-containing protein, DNA (5'-D(P*CP*GP*AP*TP*CP*(5CM)P*GP*CP*TP*AP*CP*G)-3'), DNA (5'-D(P*CP*GP*TP*AP*GP*CP*TP*GP*AP*TP*CP*G)-3'), ...
Authors:Zhang, L, Zhang, L.
Deposit date:2023-06-01
Release date:2024-03-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis of an atypical dsDNA 5mC/6mA bifunctional dioxygenase CcTet from Coprinopsis cinerea in catalyzing dsDNA 5mC demethylation.
Nucleic Acids Res., 52, 2024
7WQV
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BU of 7wqv by Molmil
Crystal structure of a neutralizing monoclonal antibody (Ab08) in complex with SARS-CoV-2 receptor-binding domain (RBD)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab08, ...
Authors:Zha, J, Meng, L, Zhang, X, Li, D.
Deposit date:2022-01-26
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A Spike-destructing human antibody effectively neutralizes Omicron-included SARS-CoV-2 variants with therapeutic efficacy.
Plos Pathog., 19, 2023
7WP1
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BU of 7wp1 by Molmil
Cryo-EM structure of SARS-CoV-2 Mu S6P trimer in complex with neutralizing antibody VacW-209 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, VacW-209 heavy chain, ...
Authors:Zheng, Q, Sun, H, Ju, B, Zhang, Z, Li, S, Xia, N.
Deposit date:2022-01-22
Release date:2022-07-13
Method:ELECTRON MICROSCOPY (3.77 Å)
Cite:Immune escape by SARS-CoV-2 Omicron variant and structural basis of its effective neutralization by a broad neutralizing human antibody VacW-209.
Cell Res., 32, 2022
7WP5
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BU of 7wp5 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron S6P trimer in complex with neutralizing antibody VacW-209 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spikeprotein S1, VacW-209 heavy chain, ...
Authors:Zheng, Q, Sun, H, Ju, B, Zhang, Z, Li, S, Xia, N.
Deposit date:2022-01-22
Release date:2022-07-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Immune escape by SARS-CoV-2 Omicron variant and structural basis of its effective neutralization by a broad neutralizing human antibody VacW-209.
Cell Res., 32, 2022
7WON
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BU of 7won by Molmil
Cryo-EM structure of SARS-CoV-2 S2P trimer in complex with neutralizing antibody VacW-209 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, VacW-209 heavy chain, ...
Authors:Zheng, Q, Sun, H, Ju, B, Zhang, Z, Li, S, Xia, N.
Deposit date:2022-01-22
Release date:2022-07-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Immune escape by SARS-CoV-2 Omicron variant and structural basis of its effective neutralization by a broad neutralizing human antibody VacW-209.
Cell Res., 32, 2022
7WP2
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BU of 7wp2 by Molmil
Cryo-EM structure of SARS-CoV-2 C.1.2 S6P trimer in complex with neutralizing antibody VacW-209 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, VacW-209 heavy chain, ...
Authors:Zheng, Q, Sun, H, Ju, B, Zhang, Z, Li, S, Xia, N.
Deposit date:2022-01-22
Release date:2022-07-20
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Immune escape by SARS-CoV-2 Omicron variant and structural basis of its effective neutralization by a broad neutralizing human antibody VacW-209.
Cell Res., 32, 2022
7WP0
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BU of 7wp0 by Molmil
Cryo-EM structure of SARS-CoV-2 Delta S6P trimer in complex with neutralizing antibody VacW-209 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, IG c335_light_IGLV1-40_IGLJ3, Spike protein S1, ...
Authors:Zheng, Q, Sun, H, Ju, B, Zhang, Z, Li, S, Xia, N.
Deposit date:2022-01-22
Release date:2022-07-20
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Immune escape by SARS-CoV-2 Omicron variant and structural basis of its effective neutralization by a broad neutralizing human antibody VacW-209.
Cell Res., 32, 2022
7VXG
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BU of 7vxg by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor TK-453
Descriptor: 6-[4-(aminomethyl)-4-methyl-piperidin-1-yl]-3-[2,3-bis(chloranyl)phenyl]sulfanyl-pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Li, T.H, Guo, H.T, Ji, X.Y.
Deposit date:2021-11-12
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:SHP2 allosteric inhibitor TK-453 alleviates psoriasis-like skin inflammation in mice via inhibition of IL-23/Th17 axis.
Iscience, 25, 2022
2G1Y
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BU of 2g1y by Molmil
Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE, Renin
Authors:Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P.
Deposit date:2006-02-15
Release date:2006-06-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
2G1R
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BU of 2g1r by Molmil
Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE, Renin
Authors:Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P.
Deposit date:2006-02-14
Release date:2006-06-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
2G1O
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BU of 2g1o by Molmil
Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-ETHYL-5-[9-(3-METHOXYPROPYL)-9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-DIAMINE, Renin
Authors:Holsworth, D.D, Zhanga, E.
Deposit date:2006-02-14
Release date:2006-06-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
2G26
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BU of 2g26 by Molmil
Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
Descriptor: (5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETIC ACID, Renin
Authors:Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P.
Deposit date:2006-02-15
Release date:2006-06-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006

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