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4CME
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BU of 4cme by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: N4,N4-dimethyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 1
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-16
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
3NUY
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BU of 3nuy by Molmil
phosphoinositide-dependent kinase-1 (PDK1) with fragment17
Descriptor: GLYCEROL, PkB-like, SULFATE ION, ...
Authors:Campobasso, N, Ward, P.
Deposit date:2010-07-07
Release date:2011-05-25
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery.
ACS Med Chem Lett, 1, 2010
4CMJ
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BU of 4cmj by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 6-(4-bromophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 1
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-16
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
6H5X
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BU of 6h5x by Molmil
Crystal structure of human Angiotensin-1 converting enzyme N-domain in complex with Omapatrilat.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2018-07-25
Release date:2018-11-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular Basis for Multiple Omapatrilat Binding Sites within the ACE C-Domain: Implications for Drug Design.
J. Med. Chem., 61, 2018
6LU1
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BU of 6lu1 by Molmil
Cyanobacterial PSI Monomer from T. elongatus by Single Particle CRYO-EM at 3.2 A Resolution
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Kurisu, G, Coruh, O, Tanaka, H, Gerle, C, Kawamoto, A, Kato, T, Namba, K, Nowaczyk, M.M, Rogner, M, Misumi, Y, Frank, A, Eithar, E.M.
Deposit date:2020-01-24
Release date:2021-03-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of a functional monomeric Photosystem I from Thermosynechococcus elongatus reveals red chlorophyll cluster.
Commun Biol, 4, 2021
4LGZ
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BU of 4lgz by Molmil
Structure of mouse 1-Pyrroline-5-Carboxylate Dehydrogenase (ALDH4A1) complexed with acetate
Descriptor: ACETIC ACID, Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial, ...
Authors:Pemberton, T.A, Tanner, J.J.
Deposit date:2013-06-30
Release date:2013-08-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.675 Å)
Cite:Structural basis of substrate selectivity of Delta (1)-pyrroline-5-carboxylate dehydrogenase (ALDH4A1): Semialdehyde chain length.
Arch.Biochem.Biophys., 538, 2013
4CMB
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BU of 4cmb by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: ACETATE ION, N4-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-16
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4LH2
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BU of 4lh2 by Molmil
Structure of mouse 1-Pyrroline-5-Carboxylate Dehydrogenase (ALDH4A1) complexed with succinate
Descriptor: Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial, PENTAETHYLENE GLYCOL, ...
Authors:Pemberton, T.A, Tanner, J.J.
Deposit date:2013-06-30
Release date:2013-08-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.673 Å)
Cite:Structural basis of substrate selectivity of Delta (1)-pyrroline-5-carboxylate dehydrogenase (ALDH4A1): Semialdehyde chain length.
Arch.Biochem.Biophys., 538, 2013
3FQ1
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BU of 3fq1 by Molmil
Azurin C112D/M121I
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Azurin, COPPER (II) ION
Authors:Lancaster, K.M, Gray, H.B.
Deposit date:2009-01-06
Release date:2009-11-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Type Zero Copper Proteins.
Nat Chem, 1, 2009
4LH0
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BU of 4lh0 by Molmil
Structure of mouse 1-Pyrroline-5-Carboxylate Dehydrogenase (ALDH4A1) complexed with glyoxylate
Descriptor: Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial, GLYOXYLIC ACID, ...
Authors:Pemberton, T.A, Tanner, J.J.
Deposit date:2013-06-30
Release date:2013-08-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.674 Å)
Cite:Structural basis of substrate selectivity of Delta (1)-pyrroline-5-carboxylate dehydrogenase (ALDH4A1): Semialdehyde chain length.
Arch.Biochem.Biophys., 538, 2013
4CM6
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BU of 4cm6 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: (E)-2-amino-4-oxo-6-styryl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CMK
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BU of 4cmk by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 2-amino-5-phenethyl-6-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-16
Release date:2015-01-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4LH3
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BU of 4lh3 by Molmil
Structure of mouse 1-Pyrroline-5-Carboxylate Dehydrogenase (ALDH4A1) complexed with glutarate
Descriptor: Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial, GLUTARIC ACID, ...
Authors:Pemberton, T.A, Tanner, J.J.
Deposit date:2013-06-30
Release date:2013-08-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.813 Å)
Cite:Structural basis of substrate selectivity of Delta (1)-pyrroline-5-carboxylate dehydrogenase (ALDH4A1): Semialdehyde chain length.
Arch.Biochem.Biophys., 538, 2013
6BW8
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BU of 6bw8 by Molmil
Mcl-1 complexed with small molecules
Descriptor: 7-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-3-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Zhao, B.
Deposit date:2017-12-14
Release date:2018-01-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design.
J. Med. Chem., 61, 2018
3FQY
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BU of 3fqy by Molmil
Azurin C112D
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Azurin, COPPER (II) ION
Authors:Lancaster, K.M, Gray, H.B.
Deposit date:2009-01-07
Release date:2009-11-10
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Type Zero Copper Proteins.
Nat Chem, 1, 2009
4LH1
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BU of 4lh1 by Molmil
Structure of mouse 1-Pyrroline-5-Carboxylate Dehydrogenase (ALDH4A1) complexed with malonate
Descriptor: Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial, MALONIC ACID, ...
Authors:Pemberton, T.A, Tanner, J.J.
Deposit date:2013-06-30
Release date:2013-08-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.673 Å)
Cite:Structural basis of substrate selectivity of Delta (1)-pyrroline-5-carboxylate dehydrogenase (ALDH4A1): Semialdehyde chain length.
Arch.Biochem.Biophys., 538, 2013
4CMI
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BU of 4cmi by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 2-amino-6-(4-bromophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-16
Release date:2015-01-21
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
5TQS
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BU of 5tqs by Molmil
Phospholipase C gamma-1 C-terminal SH2 domain bound to a phosphopeptide derived from the receptor tyrosine kinase ErbB2
Descriptor: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1, Receptor protein-tyrosine kinase
Authors:Wuttke, D.S, McKercher, M.A.
Deposit date:2016-10-24
Release date:2017-04-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.876 Å)
Cite:Multimodal Recognition of Diverse Peptides by the C-Terminal SH2 Domain of Phospholipase C-gamma 1 Protein.
Biochemistry, 56, 2017
7FIR
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BU of 7fir by Molmil
The crystal structure of beta-1,2-mannobiose phosphorylase in complex with 1,4-mannobiose
Descriptor: Beta-1,2-mannobiose phosphorylase, PENTAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ...
Authors:Dai, L, Chang, Z, Yang, J, Liu, W, Yang, Y, Chen, C.-C, Zhang, L, Huang, J, Sun, Y, Guo, R.-T.
Deposit date:2021-08-01
Release date:2022-01-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural investigation of a thermostable 1,2-beta-mannobiose phosphorylase from Thermoanaerobacter sp. X-514.
Biochem.Biophys.Res.Commun., 579, 2021
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:2024-11-13
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
6N0U
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BU of 6n0u by Molmil
Crystal structure of a glucose-1-phosphate thymidylyltransferase from Burkholderia phymatum bound to 2'-deoxy-thymidine-B-L-rhamnose
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, Glucose-1-phosphate thymidylyltransferase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-11-07
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a glucose-1-phosphate thymidylyltransferase from Burkholderia phymatum bound to 2'-deoxy-thymidine-B-L-rhamnose
To Be Published
1VOK
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BU of 1vok by Molmil
ARABIDOPSIS THALIANA TBP (DIMER)
Descriptor: SULFATE ION, TATA-BOX-BINDING PROTEIN
Authors:Nikolov, D.B, Burley, S.K.
Deposit date:1996-04-29
Release date:1996-11-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:2.1 A resolution refined structure of a TATA box-binding protein (TBP).
Nat.Struct.Biol., 1, 1994
7ESN
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BU of 7esn by Molmil
Crystal structure of a L-rhamnose-alpha-1,4-D-glucuronate lyase from Fusarium oxysporum 12S, H105F Rha-GlcA complex
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, L-Rhamnose-alpha-1,4-D-glucuronate lyase, ...
Authors:Kondo, T, Arakawa, T, Fushinobu, S, Sakamoto, T.
Deposit date:2021-05-11
Release date:2021-08-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structural and functional analysis of gum arabic l-rhamnose-alpha-1,4-d-glucuronate lyase establishes a novel polysaccharide lyase family.
J.Biol.Chem., 297, 2021
5VN1
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BU of 5vn1 by Molmil
horse liver alcohol dehydrogenae complexed with NADH (R,S)-N-1-methylhexylformamide
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (R)-N-(1-METHYL-HEXYL)-FORMAMIDE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
Authors:Plapp, B.V, Ramaswamy, S, Ferraro, D.J, Baskar Raj, S.
Deposit date:2017-04-28
Release date:2017-05-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Horse Liver Alcohol Dehydrogenase: Zinc Coordination and Catalysis.
Biochemistry, 56, 2017
6DB6
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BU of 6db6 by Molmil
Crystal structure of anti-HIV-1 V3 Fab 311-11D in complex with a HIV-1 gp120 V3 peptide from MN strain
Descriptor: HIV-1 gp120 V3 peptide from MN strain, Human monoclonal anti-HIV-1 gp120 V3 antibody 311-11D Fab heavy chain, Human monoclonal anti-HIV-1 gp120 V3 antibody 311-11D Fab light chain, ...
Authors:Chan, K.-W, Kong, X.-P.
Deposit date:2018-05-02
Release date:2018-07-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.978 Å)
Cite:Structural Comparison of Human Anti-HIV-1 gp120 V3 Monoclonal Antibodies of the Same Gene Usage Induced by Vaccination and Chronic Infection.
J. Virol., 92, 2018

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数据于2025-10-08公开中

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