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1QMF
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BU of 1qmf by Molmil
PENICILLIN-BINDING PROTEIN 2X (PBP-2X) ACYL-ENZYME COMPLEX
Descriptor: 2-[CARBOXY-(2-FURAN-2-YL-2-METHOXYIMINO-ACETYLAMINO)-METHYL]-5-METHYL-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, CEFUROXIME (OCT-3-ENE FORM), PENICILLIN-BINDING PROTEIN 2X
Authors:Gordon, E.J, Mouz, N, Duee, E, Dideberg, O.
Deposit date:1999-09-28
Release date:2000-05-25
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Crystal Structure of the Penicillin Binding Protein 2X from Streptococcus Pneumoniae and its Acyl-Enzyme Form: Implication in Drug Resistance
J.Mol.Biol., 299, 2000
1GRG
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BU of 1grg by Molmil
SUBSTRATE BINDING AND CATALYSIS BY GLUTATHIONE REDUCTASE AS DERIVED FROM REFINED ENZYME: SUBSTRATE CRYSTAL STRUCTURES AT 2 ANGSTROMS RESOLUTION
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE, PHOSPHATE ION
Authors:Karplus, P.A, Schulz, G.E.
Deposit date:1992-12-15
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Substrate binding and catalysis by glutathione reductase as derived from refined enzyme: substrate crystal structures at 2 A resolution.
J.Mol.Biol., 210, 1989
1GRE
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BU of 1gre by Molmil
SUBSTRATE BINDING AND CATALYSIS BY GLUTATHIONE REDUCTASE AS DERIVED FROM REFINED ENZYME: SUBSTRATE CRYSTAL STRUCTURES AT 2 ANGSTROMS RESOLUTION
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE, GLUTATHIONE REDUCTASE, ...
Authors:Karplus, P.A, Schulz, G.E.
Deposit date:1992-12-15
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Substrate binding and catalysis by glutathione reductase as derived from refined enzyme: substrate crystal structures at 2 A resolution.
J.Mol.Biol., 210, 1989
2H92
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BU of 2h92 by Molmil
Crystal Structure of Staphylococcus aureus Cytidine Monophosphate Kinase in complex with cytidine-5'-monophosphate
Descriptor: CYTIDINE-5'-MONOPHOSPHATE, Cytidylate kinase, SULFATE ION, ...
Authors:Dhaliwal, B.
Deposit date:2006-06-08
Release date:2006-08-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of Staphylococcus aureus cytidine monophosphate kinase in complex with cytidine 5'-monophosphate.
Acta Crystallogr.,Sect.F, 62, 2006
6RS2
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BU of 6rs2 by Molmil
Structure of the Bateman module of human CNNM4.
Descriptor: Metal transporter CNNM4
Authors:Corral-Rodriguez, M.A, Stuiver, M, Gomez-Garcia, I, Oyenarte, I, Gimenez, P, Ereno-Orbea, J, Diercks, T, Muller, D, Martinez-Cruz, L.A.
Deposit date:2019-05-21
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.694 Å)
Cite:Structural Insights into the Intracellular Region of the Human Magnesium Transport Mediator CNNM4.
Int J Mol Sci, 20, 2019
7KZ9
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BU of 7kz9 by Molmil
Crystal structure of Pseudomonas sp. PDC86 substrate-binding protein Aapf in complex with a signaling molecule HEHEAA
Descriptor: GLYCEROL, N,N~2~-bis(2-hydroxyethyl)glycinamide, Peptide/nickel transport system substrate-binding protein AapF, ...
Authors:Luo, S, Dadhwal, P, Tong, L.
Deposit date:2020-12-10
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for a bacterial Pip system plant effector recognition protein.
Proc.Natl.Acad.Sci.USA, 118, 2021
7KZ8
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BU of 7kz8 by Molmil
Crystal structure of substrate-binding protein Aapf from Pseudomonas sp. PDC86
Descriptor: GLYCEROL, Peptide/nickel transport system substrate-binding protein AapF
Authors:Luo, S, Dadhwal, P, Tong, L.
Deposit date:2020-12-10
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for a bacterial Pip system plant effector recognition protein.
Proc.Natl.Acad.Sci.USA, 118, 2021
4RV7
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BU of 4rv7 by Molmil
Characterization of an essential diadenylate cyclase
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Diadenylate cyclase, HEXANE-1,6-DIOL, ...
Authors:Dickmanns, A, Neumann, P, Ficner, R.
Deposit date:2014-11-25
Release date:2015-01-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and Biochemical Analysis of the Essential Diadenylate Cyclase CdaA from Listeria monocytogenes.
J.Biol.Chem., 290, 2015
6VTN
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BU of 6vtn by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM557
Descriptor: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Deng, X, Phillips, M.
Deposit date:2020-02-13
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Lead Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series for the Treatment of Malaria.
J.Med.Chem., 63, 2020
6VTY
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BU of 6vty by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM483
Descriptor: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Deng, X, Phillips, M.
Deposit date:2020-02-13
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Lead Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series for the Treatment of Malaria.
J.Med.Chem., 63, 2020
9WGA
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BU of 9wga by Molmil
2.2 ANGSTROMS RESOLUTION STRUCTURE ANALYSIS OF TWO REFINED N-ACETYLNEURAMINYLLACTOSE-WHEAT GERM AGGLUTININ ISOLECTIN COMPLEXES
Descriptor: WHEAT GERM LECTIN
Authors:Wright, C.S.
Deposit date:1990-04-20
Release date:1990-10-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:2.2 A resolution structure analysis of two refined N-acetylneuraminyl-lactose--wheat germ agglutinin isolectin complexes.
J.Mol.Biol., 215, 1990
5K7K
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BU of 5k7k by Molmil
Design and Optimization of Biaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7: Discovery of Clinical Candidate PF-05089771
Descriptor: 4-[4-chloranyl-2-(1~{H}-pyrazol-4-yl)phenoxy]-3-cyano-~{N}-(1,3-thiazol-2-yl)benzenesulfonamide, Cytochrome P450 2C9, PROTOPORPHYRIN IX CONTAINING FE
Authors:Swain, N, Chrencik, J.
Deposit date:2016-05-26
Release date:2017-06-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Clinical Candidate 4-[2-(5-Amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-1,3-thiazol-4-ylbenzenesulfonamide (PF-05089771): Design and Optimization of Diaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7.
J. Med. Chem., 60, 2017
6UX5
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BU of 6ux5 by Molmil
Structure of acrorhagin I from the sea anemone Actinia equina
Descriptor: U-actitoxin-Aeq5a
Authors:Krishnarjuna, B, Sunanda, P, Norton, R.S.
Deposit date:2019-11-06
Release date:2020-11-18
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:A disulfide-stabilised helical hairpin fold in acrorhagin I: An emerging structural motif in peptide toxins.
J.Struct.Biol., 213, 2020
6XRJ
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BU of 6xrj by Molmil
Crystal structure of the disulfide linked DH717.1 Fab dimer, derived from a macaque HIV-1 vaccine-induced Env glycan-reactive neutralizing antibody B cell lineage
Descriptor: DH717.1 heavy chain Fab fragment, DH717.1 light chain Fab fragment
Authors:Manne, K, Nicely, N.I, Acharya, P.
Deposit date:2020-07-13
Release date:2020-12-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
Cell, 184, 2021
6G52
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BU of 6g52 by Molmil
CRYSTAL STRUCTURE OF THE CNMP BINDING DOMAIN OF THE MAGNESIUM TRANSPORTER CNNM4
Descriptor: Metal transporter CNNM4
Authors:Gimenez, P, Oyenarte, I, Hardy, S, Zubillaga, M, Merino, N, Blanco, F.J, Siliqi, D, Tremblay, M, Muller, D, Martinez-Cruz, L.A.
Deposit date:2018-03-28
Release date:2019-04-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.691 Å)
Cite:Structural Insights into the Intracellular Region of the Human Magnesium Transport Mediator CNNM4.
Int J Mol Sci, 20, 2019
6DB3
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BU of 6db3 by Molmil
JAK3 with Cyanamide CP23
Descriptor: Tyrosine-protein kinase JAK3, [(1S)-1-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]cyanamide
Authors:Vajdos, F.F.
Deposit date:2018-05-02
Release date:2018-11-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors.
J. Med. Chem., 61, 2018
6DUD
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BU of 6dud by Molmil
JAK3 with cyanamide CP12
Descriptor: N-[(1S)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide, SULFATE ION, Tyrosine-protein kinase JAK3
Authors:Vajdos, F.F.
Deposit date:2018-06-20
Release date:2018-11-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors.
J. Med. Chem., 61, 2018
6DB4
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BU of 6db4 by Molmil
JAK3 with Cyanamide CP34
Descriptor: N-[(1S)-6-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide, Tyrosine-protein kinase JAK3
Authors:Vajdos, F.F.
Deposit date:2018-05-02
Release date:2018-11-28
Last modified:2019-05-01
Method:X-RAY DIFFRACTION (1.662 Å)
Cite:Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors.
J. Med. Chem., 61, 2018
6DA4
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BU of 6da4 by Molmil
JAK3 with Cyanamide CP10
Descriptor: (Z)-1-{2,2-difluoro-6-[5-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}methanimine, Tyrosine-protein kinase JAK3
Authors:Vajdos, F.F.
Deposit date:2018-05-01
Release date:2018-11-28
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors.
J. Med. Chem., 61, 2018
6CKF
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BU of 6ckf by Molmil
Structure of a new ShKT peptide from the sea anemone Oulactis sp: OspTx2a-p2
Descriptor: OspTx2a-p2
Authors:Sunanda, P, Krishnarjuna, B, Norton, R.S.
Deposit date:2018-02-28
Release date:2019-03-06
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:Identification, chemical synthesis, structure, and function of a new KV1 channel blocking peptide from Oulactis sp.
Peptide Science, 110, 2018
6CKD
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BU of 6ckd by Molmil
Structure of a new ShKT peptide from the sea anemone Oulactis sp: OspTx2a-p1
Descriptor: OspTx2a-p1
Authors:Sunanda, P, Krishnarjuna, B, Norton, R.S.
Deposit date:2018-02-27
Release date:2019-02-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Identification, chemical synthesis, structure, and function of a new KV1 channel blocking peptide from Oulactis sp.
Peptide Science, 110, 2018
6BUC
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BU of 6buc by Molmil
Structure of a new ShKT peptide from the sea anemone Oulactis sp.
Descriptor: OspTx2b
Authors:Krishnarjuna, B, Norton, R.S.
Deposit date:2017-12-10
Release date:2018-05-30
Last modified:2024-10-09
Method:SOLUTION NMR
Cite:Synthesis, folding, structure and activity of a predicted peptide from the sea anemone Oulactis sp. with an ShKT fold.
Toxicon, 150, 2018
6UIP
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BU of 6uip by Molmil
DYRK1A Kinase Domain in Complex with a 6-azaindole Derivative, GNF2133.
Descriptor: 4-ethyl-N-{4-[1-(oxan-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Authors:DiDonato, M, Spraggon, G.
Deposit date:2019-10-01
Release date:2020-03-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Selective DYRK1A Inhibitor for the Treatment of Type 1 Diabetes: Discovery of 6-Azaindole Derivative GNF2133.
J.Med.Chem., 63, 2020
6MRK
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BU of 6mrk by Molmil
Crystal structure of dmNxf2 NTF2-like domain in complex with Nxt1/p15
Descriptor: NTF2-related export protein, Nuclear RNA export factor 2
Authors:Wang, J, Patel, D.J.
Deposit date:2018-10-13
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The nascent RNA binding complex SFiNX licenses piRNA-guided heterochromatin formation.
Nat.Struct.Mol.Biol., 26, 2019
6OPF
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BU of 6opf by Molmil
Crystal structure of dmNxf2 UBA domain fused with Panoramix helix
Descriptor: Nuclear RNA export factor 2, Panoramix fusion
Authors:Wang, J, Patel, D.J.
Deposit date:2019-04-24
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:The nascent RNA binding complex SFiNX licenses piRNA-guided heterochromatin formation.
Nat.Struct.Mol.Biol., 26, 2019

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数据于2024-10-30公开中

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