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4TPM
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BU of 4tpm by Molmil
Crystal structure of 2-(3-alkoxy-1-azetidinyl) quinolines as PDE10A Inhibitors
Descriptor: GLYCEROL, SULFATE ION, ZINC ION, ...
Authors:Chmait, S.
Deposit date:2014-06-08
Release date:2014-12-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Synthesis and preliminary biological evaluation of potent and selective 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors with improved solubility.
Bioorg.Med.Chem., 22, 2014
4FWX
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BU of 4fwx by Molmil
Aquoferric F33Y CuB myoglobin (F33Y L29H F43H sperm whale myoglobin)
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gao, Y.-G, Stoner-Ma, D, Robinson, H, Petrik, I.D, Miner, K.D, Lu, Y.
Deposit date:2012-07-02
Release date:2012-07-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Designed Functional Metalloenzyme that Reduces O(2) to H(2) O with Over One Thousand Turnovers.
Angew.Chem.Int.Ed.Engl., 51, 2012
4FWZ
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BU of 4fwz by Molmil
Aquoferric CuB myoglobin (L29H F43H sperm whale myoglobin)
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gao, Y.-G, Robinson, H, Petrik, I.D, Miner, K.D, Lu, Y.
Deposit date:2012-07-02
Release date:2012-07-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Designed Functional Metalloenzyme that Reduces O(2) to H(2) O with Over One Thousand Turnovers.
Angew.Chem.Int.Ed.Engl., 51, 2012
4FWY
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BU of 4fwy by Molmil
F33Y CuB myoglobin (F33Y L29H F43H sperm whale myoglobin) with copper bound
Descriptor: COPPER (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gao, Y.-G, Robinson, H, Petrik, I.D, Miner, K.D, Lu, Y.
Deposit date:2012-07-02
Release date:2012-07-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Designed Functional Metalloenzyme that Reduces O(2) to H(2) O with Over One Thousand Turnovers.
Angew.Chem.Int.Ed.Engl., 51, 2012
3K3N
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BU of 3k3n by Molmil
Crystal structure of the catalytic core domain of human PHF8
Descriptor: FE (II) ION, PHD finger protein 8
Authors:Yu, L, Wang, Y, Huang, S, Wang, J, Deng, Z, Wu, W, Gong, W, Chen, Z.
Deposit date:2009-10-03
Release date:2010-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights into a novel histone demethylase PHF8
Cell Res., 20, 2010
4HF4
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BU of 4hf4 by Molmil
Crystal Structure of PDE10A with a biaryl ether inhibitor (1-(1-(3-(4-(benzo[d]thiazol-2-ylamino)phenoxy)pyrazin-2-yl)piperidin-4-yl)ethanol)
Descriptor: (1S)-1-(1-{3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl}piperidin-4-yl)ethanol, GLYCEROL, SULFATE ION, ...
Authors:Chmait, S, Jordan, S.
Deposit date:2012-10-04
Release date:2012-12-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of selective biaryl ethers as PDE10A inhibitors: Improvement in potency and mitigation of Pgp-mediated efflux.
Bioorg.Med.Chem.Lett., 22, 2012
4PAR
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BU of 4par by Molmil
The 5-Hydroxymethylcytosine-Specific Restriction Enzyme AbaSI in a Complex with Product-like DNA
Descriptor: 1,2-ETHANEDIOL, DNA 14-MER, DNA 18-MER, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2014-04-09
Release date:2014-06-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structure of 5-hydroxymethylcytosine-specific restriction enzyme, AbaSI, in complex with DNA.
Nucleic Acids Res., 42, 2014
4HEU
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BU of 4heu by Molmil
Crystal Structure of PDE10A with a biaryl ether inhibitor ((1-(3-(4-((1H-benzo[d]imidazol-2-yl)amino)phenoxy)pyridin-2-yl)piperidin-4-yl)methanol)
Descriptor: (1-{3-[4-(1H-benzimidazol-2-ylamino)phenoxy]pyridin-2-yl}piperidin-4-yl)methanol, SULFATE ION, ZINC ION, ...
Authors:Chmait, S, Jordan, S.
Deposit date:2012-10-04
Release date:2012-12-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of selective biaryl ethers as PDE10A inhibitors: Improvement in potency and mitigation of Pgp-mediated efflux.
Bioorg.Med.Chem.Lett., 22, 2012
2GER
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BU of 2ger by Molmil
Crystal Structure and Oxidative Mechanism of Human Pyrroline-5-carboxylate Reductase
Descriptor: Pyrroline-5-carboxylate reductase 1
Authors:Meng, Z, Lou, Z, Liu, Z, Rao, Z.
Deposit date:2006-03-20
Release date:2006-09-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of human pyrroline-5-carboxylate reductase
J.Mol.Biol., 359, 2006
6CWA
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BU of 6cwa by Molmil
CRYSTAL STRUCTURE PHGDH IN COMPLEX WITH NADH AND 3-PHOSPHOGLYCERATE AT 1.77 A RESOLUTION
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-PHOSPHOGLYCERIC ACID, D-3-phosphoglycerate dehydrogenase
Authors:Davies, D.R, Edwards, T.E.
Deposit date:2018-03-30
Release date:2019-08-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
3K3O
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BU of 3k3o by Molmil
Crystal structure of the catalytic core domain of human PHF8 complexed with alpha-ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, FE (II) ION, PHD finger protein 8
Authors:Yu, L, Wang, Y, Huang, S, Wang, J, Deng, Z, Wu, W, Gong, W, Chen, Z.
Deposit date:2009-10-03
Release date:2010-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into a novel histone demethylase PHF8
Cell Res., 20, 2010
6KKH
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BU of 6kkh by Molmil
Crystal structure of the oxalate bound malyl-CoA lyase from Roseiflexus castenholzii
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HpcH/HpaI aldolase, MAGNESIUM ION, ...
Authors:Tang, W.R, Wang, Z.G, Zhang, C.Y, Wang, C.
Deposit date:2019-07-25
Release date:2019-09-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:The C-terminal domain conformational switch revealed by the crystal structure of malyl-CoA lyase from Roseiflexus castenholzii.
Biochem.Biophys.Res.Commun., 518, 2019
4H1M
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BU of 4h1m by Molmil
Crystal structure of PYK2 with the indole 10c
Descriptor: 7-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)-N-(propan-2-yl)-1H-indole-2-carboxamide, Protein-tyrosine kinase 2-beta
Authors:Han, S.
Deposit date:2012-09-10
Release date:2012-11-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
5XJY
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BU of 5xjy by Molmil
Cryo-EM structure of human ABCA1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ATP-binding cassette sub-family A member 1, ...
Authors:Qian, H.W, Yan, N, Gong, X.
Deposit date:2017-05-04
Release date:2017-06-07
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structure of the Human Lipid Exporter ABCA1.
Cell, 169, 2017
3HIE
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BU of 3hie by Molmil
Structure of the membrane-binding domain of the Sec3 subunit of the Exocyst complex
Descriptor: Exocyst complex component SEC3, PHOSPHATE ION
Authors:Baek, K, Dominguez, R.
Deposit date:2009-05-19
Release date:2010-02-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-function study of the N-terminal domain of exocyst subunit Sec3.
J.Biol.Chem., 285, 2010
4H1J
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BU of 4h1j by Molmil
Crystal structure of PYK2 with the pyrazole 13a
Descriptor: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[3-(4-methoxy-2-methylphenyl)-1H-pyrazol-5-yl]urea, Protein-tyrosine kinase 2-beta
Authors:Han, S.
Deposit date:2012-09-10
Release date:2012-11-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
6KIN
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BU of 6kin by Molmil
Crystal structure of the tri-functional malyl-CoA lyase from Roseiflexus castenholzii
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HpcH/HpaI aldolase
Authors:Tang, W.R, Zhang, C.Y, Wang, C, Xu, X.L.
Deposit date:2019-07-19
Release date:2019-09-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.527 Å)
Cite:The C-terminal domain conformational switch revealed by the crystal structure of malyl-CoA lyase from Roseiflexus castenholzii.
Biochem.Biophys.Res.Commun., 518, 2019
7XB0
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BU of 7xb0 by Molmil
Crystal structure of Omicron BA.2 RBD complexed with hACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Li, L, Liao, H, Meng, Y, Li, W.
Deposit date:2022-03-19
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of human ACE2 higher binding affinity to currently circulating Omicron SARS-CoV-2 sub-variants BA.2 and BA.1.1.
Cell, 185, 2022
7XAZ
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BU of 7xaz by Molmil
Crystal structure of Omicron BA.1.1 RBD complexed with hACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Liao, H, Meng, Y, Li, W.
Deposit date:2022-03-19
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of human ACE2 higher binding affinity to currently circulating Omicron SARS-CoV-2 sub-variants BA.2 and BA.1.1.
Cell, 185, 2022
7XB1
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BU of 7xb1 by Molmil
Crystal structure of Omicron BA.3 RBD complexed with hACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Li, W, Meng, Y, Liao, H.
Deposit date:2022-03-19
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of human ACE2 higher binding affinity to currently circulating Omicron SARS-CoV-2 sub-variants BA.2 and BA.1.1.
Cell, 185, 2022
2GRA
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BU of 2gra by Molmil
crystal structure of Human Pyrroline-5-carboxylate Reductase complexed with nadp
Descriptor: GLUTAMIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pyrroline-5-carboxylate reductase 1
Authors:Meng, Z, Lou, Z, Liu, Z, Rao, Z.
Deposit date:2006-04-23
Release date:2006-10-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of human pyrroline-5-carboxylate reductase
J.Mol.Biol., 359, 2006
2GR9
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BU of 2gr9 by Molmil
Crystal structure of P5CR complexed with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLUTAMIC ACID, Pyrroline-5-carboxylate reductase 1
Authors:Meng, Z, Lou, Z, Liu, Z, Rao, Z.
Deposit date:2006-04-23
Release date:2006-10-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of human pyrroline-5-carboxylate reductase
J.Mol.Biol., 359, 2006
4QO8
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BU of 4qo8 by Molmil
Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-enone compound 104
Descriptor: (5S)-2-[(2-chlorophenyl)sulfanyl]-5-(2,6-dichlorophenyl)-3-hydroxycyclohex-2-en-1-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2014-06-19
Release date:2014-07-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 24, 2014
4QO7
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BU of 4qo7 by Molmil
Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-enone compound 7
Descriptor: (2S)-2-HYDROXYPROPANOIC ACID, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2014-06-19
Release date:2014-07-16
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 24, 2014
4MPZ
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BU of 4mpz by Molmil
Crystal structure of TCP10c domain of Drosophila melanogaster Sas-4
Descriptor: IMIDAZOLE, Sas-4
Authors:Li, H, Zheng, X.
Deposit date:2013-09-14
Release date:2014-01-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:The conserved TCP domain of Sas-4/CPAP is essential for Peri-centriolar material tethering during centrosome biogenesis
Proc.Natl.Acad.Sci.USA, 2014

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