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6NKJ
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1.3 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Streptococcus pneumoniae in Complex with (2R)-2-(phosphonooxy)propanoic acid.
Descriptor: (2R)-2-(phosphonooxy)propanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-01-07
Release date:2019-01-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:1.3 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Streptococcus pneumoniae in Complex with (2R)-2-(phosphonooxy)propanoic acid.
To Be Published
1BTI
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BU of 1bti by Molmil
CREVICE-FORMING MUTANTS IN THE RIGID CORE OF BOVINE PANCREATIC TRYPSIN INHIBITOR: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR
Authors:Housset, D, Tao, F, Kim, K.-S, Fuchs, J, Woodward, C, Wlodawer, A.
Deposit date:1991-07-11
Release date:1993-10-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crevice-forming mutants in the rigid core of bovine pancreatic trypsin inhibitor: crystal structures of F22A, Y23A, N43G, and F45A.
Protein Sci., 2, 1993
6OOC
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BU of 6ooc by Molmil
Structure of the pterocarpan synthase dirigent protein GePTS1
Descriptor: Dirigent protein
Authors:Smith, C.A.
Deposit date:2019-04-23
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Pterocarpan synthase (PTS) structures suggest a common quinone methide-stabilizing function in dirigent proteins and proteins with dirigent-like domains.
J.Biol.Chem., 295, 2020
8CN5
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Pa.FabF-C164Q in complex with propan-2-yl 1~{H}-pyrazole-3-carboxylate
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Georgiou, C, Brenk, R.
Deposit date:2023-02-22
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
8CNE
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BU of 8cne by Molmil
Pa.FabF-C164A in complex with N-(propan-2-yl)-1H-pyrazole-3-carboxamide
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Georgiou, C, Brenk, R, Espeland, L.O.
Deposit date:2023-02-22
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
1KGW
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BU of 1kgw by Molmil
THREE DIMENSIONAL STRUCTURE ANALYSIS OF THE R337Q VARIANT OF HUMAN PANCREATIC ALPHA-MYLASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-AMYLASE, PANCREATIC, ...
Authors:Numao, S, Maurus, R, Sidhu, G, Wang, Y, Overall, C.M, Brayer, G.D, Withers, S.G.
Deposit date:2001-11-28
Release date:2002-01-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Probing the role of the chloride ion in the mechanism of human pancreatic alpha-amylase.
Biochemistry, 41, 2002
1KGX
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Three Dimensional Structure Analysis of the R195Q Variant of Human Pancreatic Alpha Amylase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-AMYLASE, PANCREATIC, ...
Authors:Numao, S, Maurus, R, Sidhu, G, Wang, Y, Overall, C.M, Brayer, G.D, Withers, S.G.
Deposit date:2001-11-28
Release date:2002-01-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Probing the role of the chloride ion in the mechanism of human pancreatic alpha-amylase.
Biochemistry, 41, 2002
1KBK
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Mechanistic Analyses of Catalysis in Human Pancreatic Alpha-Amylase: Detailed Kinetic and Structural Studies of Mutants of Three Conserved Carboxylic Acids
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-AMYLASE, PANCREATIC, ...
Authors:Rydberg, E.H, Li, C, Maurus, R, Overall, C.M, Brayer, G.D, Withers, S.G.
Deposit date:2001-11-06
Release date:2002-04-10
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanistic analyses of catalysis in human pancreatic alpha-amylase: detailed kinetic and structural studies of mutants of three conserved carboxylic acids.
Biochemistry, 41, 2002
1KBB
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BU of 1kbb by Molmil
Mechanistic Analyses of Catalysis in Human Pancreatic alpha-Amylase: Detailed Kinetic and Structural Studies of Mutants of Three Conserved Carboxylic Acids
Descriptor: ALPHA-AMYLASE, PANCREATIC, CALCIUM ION, ...
Authors:Rydberg, E.H, Li, C, Maurus, R, Overall, C.M, Brayer, G.D, Withers, S.G.
Deposit date:2001-11-05
Release date:2002-04-10
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanistic analyses of catalysis in human pancreatic alpha-amylase: detailed kinetic and structural studies of mutants of three conserved carboxylic acids.
Biochemistry, 41, 2002
7QT2
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BU of 7qt2 by Molmil
Antibody FenAb208 - fentanyl complex
Descriptor: Antibody heavy chain, Antibody light chain, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Authors:Zeelen, J.P, Straaten van, M, Stebbins, C.E.
Deposit date:2022-01-14
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl.
Cell Rep, 42, 2023
7QT0
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Antibody FenAb136 - fentanyl complex
Descriptor: 2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid, Antibody heavy chain, Antibody light chain
Authors:Zeelen, J.P, Straaten van, M, Stebbins, C.E.
Deposit date:2022-01-14
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl.
Cell Rep, 42, 2023
7QT4
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BU of 7qt4 by Molmil
Antibody FenAb709 - fentanyl complex
Descriptor: 2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid, Antibody heavy chain, Antibody light chain
Authors:Zeelen, J.P, Straaten van, M, Stebbins, C.E.
Deposit date:2022-01-14
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl.
Cell Rep, 42, 2023
7QT3
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BU of 7qt3 by Molmil
Antibody FenAb609 - fentanyl complex
Descriptor: Antibody heavy chain, Antibody light chain, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Authors:Zeelen, J.P, Straaten van, M, Stebbins, C.E.
Deposit date:2022-01-14
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl.
Cell Rep, 42, 2023
6QWU
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BU of 6qwu by Molmil
4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 5.5 with Mn2+ and CoA.
Descriptor: COENZYME A, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ...
Authors:Nguyen, M.C, Mourey, L, Pedelacq, J.D.
Deposit date:2019-03-06
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases.
Febs J., 287, 2020
6QXQ
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BU of 6qxq by Molmil
4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 7 with Mn2+ and CoA.
Descriptor: COENZYME A, MANGANESE (II) ION, Possible 4'-phosphopantetheinyl transferase
Authors:Nguyen, M.C, Mourey, L, Pedelacq, J.D.
Deposit date:2019-03-07
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases.
Febs J., 287, 2020
4QJK
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BU of 4qjk by Molmil
Crystal structure of M. tuberculosis phosphopantetheinyl transferase PptT
Descriptor: COENZYME A, Phosphopantetheinyl transferase PptT, SULFATE ION
Authors:Noel, J.P, Burkart, M.D, Vickery, C.R.
Deposit date:2014-06-04
Release date:2014-07-16
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structure, biochemistry, and inhibition of essential 4'-phosphopantetheinyl transferases from two species of mycobacteria.
Acs Chem.Biol., 9, 2014
8BV2
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BU of 8bv2 by Molmil
Biological and structural analysis of new potent Integrase-LEDGF allosteric HIV-1 inhibitors
Descriptor: (2S)-2-[3-cyclopropyl-2-(3,4-dihydro-2H-chromen-6-yl)-6-methyl-phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, MAGNESIUM ION, ...
Authors:Ruff, M, Benarous, R.
Deposit date:2022-12-01
Release date:2023-06-07
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
6QXR
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BU of 6qxr by Molmil
4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 8.5 with Mn2+ and CoA.
Descriptor: CALCIUM ION, COENZYME A, MANGANESE (II) ION, ...
Authors:Nguyen, M.C, Mourey, L, Pedelacq, J.D.
Deposit date:2019-03-07
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases.
Febs J., 287, 2020
6RCX
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BU of 6rcx by Molmil
Mycobacterial 4'-phosphopantetheinyl transferase PptAb in complex with the ACP domain of PpsC.
Descriptor: CACODYLATE ION, COENZYME A, MANGANESE (II) ION, ...
Authors:Nguyen, M.C, Mourey, L, Pedelacq, J.D.
Deposit date:2019-04-12
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases.
Febs J., 287, 2020
6QYG
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BU of 6qyg by Molmil
4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 8.5 with Mg2+ and CoA.
Descriptor: COENZYME A, MAGNESIUM ION, Possible 4'-phosphopantetheinyl transferase
Authors:Nguyen, M.C, Mourey, L, Pedelacq, J.D.
Deposit date:2019-03-08
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases.
Febs J., 287, 2020
6QYF
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BU of 6qyf by Molmil
4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 4.6 with Mg2+ and CoA.
Descriptor: COENZYME A, MAGNESIUM ION, Possible 4'-phosphopantetheinyl transferase
Authors:Nguyen, M.C, Mourey, L, Pedelacq, J.D.
Deposit date:2019-03-08
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases.
Febs J., 287, 2020
4TPI
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BU of 4tpi by Molmil
THE REFINED 2.2-ANGSTROMS (0.22-NM) X-RAY CRYSTAL STRUCTURE OF THE TERNARY COMPLEX FORMED BY BOVINE TRYPSINOGEN, VALINE-VALINE AND THE ARG15 ANALOGUE OF BOVINE PANCREATIC TRYPSIN INHIBITOR
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR, CALCIUM ION, SULFATE ION, ...
Authors:Bode, W, Walter, J.
Deposit date:1985-06-11
Release date:1985-11-08
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The refined 2.2-A (0.22-nm) X-ray crystal structure of the ternary complex formed by bovine trypsinogen, valine-valine and the Arg15 analogue of bovine pancreatic trypsin inhibitor
Eur.J.Biochem., 144, 1984
2F8W
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BU of 2f8w by Molmil
Crystal structure of d(CACGTG)2
Descriptor: 1,3-DIAMINOPROPANE, 5'-D(*CP*AP*CP*GP*TP*G)-3', SPERMINE
Authors:Narayana, N, Shamala, N, Ganesh, K.N, Viswamitra, M.A.
Deposit date:2005-12-04
Release date:2006-01-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Interaction between the Z-Type DNA Duplex and 1,3-Propanediamine: Crystal Structure of d(CACGTG)2 at 1.2 A Resolution
Biochemistry, 45, 2006
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
6SOZ
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BU of 6soz by Molmil
Glycosylated Trypanosoma brucei transferrin receptor in complex with human transferrin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ESAG6, ...
Authors:Trevor, C, Carrington, M, Higgins, M.K.
Deposit date:2019-08-30
Release date:2019-11-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.42 Å)
Cite:Structure of the trypanosome transferrin receptor reveals mechanisms of ligand recognition and immune evasion.
Nat Microbiol, 4, 2019

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数据于2024-09-25公开中

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