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7KXH
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BU of 7kxh by Molmil
Dihydrodipicolinate synthase (DHDPS) from C.jejuni with pyruvate bound in the active site and R,R-bislysine bound at the allosteric site in C2221 space group
Descriptor: (2R,5R)-2,5-diamino-2,5-bis(4-aminobutyl)hexanedioic acid, 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ...
Authors:Saran, S, Sanders, D.A.R.
Deposit date:2020-12-03
Release date:2021-12-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:B-FACTOR ANALYSIS SUGGEST THAT L-LYSINE AND R, R-BISLYSINE ALLOSTERICALLY INHIBIT Cj.DHDPS ENZYME BY DECREASING PROTEIN DYNAMICS.
To Be Published
7KZ2
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BU of 7kz2 by Molmil
Dihydrodipicolinate synthase (DHDPS) from C.jejuni, Y110F mutant with pyruvate bound in the active site and L-lysine bound at the allosteric site in C2221 space group
Descriptor: 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ACETATE ION, ...
Authors:Saran, S, Sanders, D.A.R.
Deposit date:2020-12-09
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:B-FACTOR ANALYSIS SUGGEST THAT L-LYSINE AND R, R-BISLYSINE ALLOSTERICALLY INHIBIT Cj.DHDPS ENZYME BY DECREASING PROTEIN DYNAMICS.
To Be Published
7L4B
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BU of 7l4b by Molmil
Dihydrodipicolinate synthase (DHDPS) from C.jejuni with pyruvate bound in the active site in P1211 space group
Descriptor: 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ACETATE ION, ...
Authors:Saran, S, Sanders, D.A.R.
Deposit date:2020-12-18
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:B-FACTOR ANALYSIS SUGGEST THAT L-LYSINE AND R, R-BISLYSINE ALLOSTERICALLY INHIBIT Cj.DHDPS ENZYME BY DECREASING PROTEIN DYNAMICS.
To Be Published
6BV4
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BU of 6bv4 by Molmil
Crystal structure of porcine aminopeptidase-N with Methionine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chen, L, Lin, Y.-L, Li, F.
Deposit date:2017-12-12
Release date:2018-01-10
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:The Rational Design of Therapeutic Peptides for Aminopeptidase N using a Substrate-Based Approach.
Sci Rep, 7, 2017
6BUY
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BU of 6buy by Molmil
Crystal structure of porcine aminopeptidase-N with Glycine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chen, L, Lin, Y.-L, Li, F.
Deposit date:2017-12-11
Release date:2018-01-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Rational Design of Therapeutic Peptides for Aminopeptidase N using a Substrate-Based Approach.
Sci Rep, 7, 2017
7LCF
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BU of 7lcf by Molmil
Dihydrodipicolinate synthase (DHDPS) from C.jejuni, with pyruvate bound in the active site and L-lysine bound at the allosteric site in C121 space group
Descriptor: 4-hydroxy-tetrahydrodipicolinate synthase, LYSINE, MAGNESIUM ION
Authors:Saran, S, Sanders, D.A.R.
Deposit date:2021-01-10
Release date:2022-01-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:B-factors: L- lysine and R, R- bisLysine allosterically inhibit Cj. DHDPS Enzyme by decreasing its protein dynamics
To Be Published
4JYQ
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BU of 4jyq by Molmil
DHP-CO crystal structure
Descriptor: CARBON MONOXIDE, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Zhao, J, Srajer, V, Franzen, S.
Deposit date:2013-03-31
Release date:2014-04-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Observation of protein valves for the control of the internal flow of small molecules using time-resolved X-ray crystallography
To be Published
6BV0
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BU of 6bv0 by Molmil
Crystal structure of porcine aminopeptidase-N with Arginine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chen, L, Lin, Y.-L, Li, F.
Deposit date:2017-12-12
Release date:2018-01-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The Rational Design of Therapeutic Peptides for Aminopeptidase N using a Substrate-Based Approach.
Sci Rep, 7, 2017
7M0H
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BU of 7m0h by Molmil
DHP B in complex with 4-chlorophenol ligand
Descriptor: 4-chlorophenol, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Carey, L.M, Ghiladi, R.A.
Deposit date:2021-03-10
Release date:2022-08-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Mechanistic and Structural Studies of 2,4-dihalophenol: Bridging the Functional Gap between Reactivity and Inhibition in Dehaloperoxidase
To Be Published
7M0F
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BU of 7m0f by Molmil
DHP B in complex with 4-bromophenol ligand
Descriptor: 4-BROMOPHENOL, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Carey, L.M, Ghiladi, R.A.
Deposit date:2021-03-10
Release date:2022-08-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Mechanistic and Structural Studies of 2,4-dihalophenol: Bridging the Functional Gap between Reactivity and Inhibition in Dehaloperoxidase
To Be Published
6BV2
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BU of 6bv2 by Molmil
Crystal structure of porcine aminopeptidase-N with Isoleucine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chen, L, Lin, Y.-L, Li, F.
Deposit date:2017-12-12
Release date:2018-01-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:The Rational Design of Therapeutic Peptides for Aminopeptidase N using a Substrate-Based Approach.
Sci Rep, 7, 2017
7LZO
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BU of 7lzo by Molmil
DHP B in complex with 2,4-Dibromophenol substrate
Descriptor: 2,4-bis(bromanyl)phenol, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Carey, L.M, Ghiladi, R.A.
Deposit date:2021-03-10
Release date:2022-03-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Mechanistic and Structural Studies of 2,4-dihalophenol: Bridging the Functional Gap between Reactivity and Inhibition in Dehaloperoxidase
To Be Published
7LZK
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BU of 7lzk by Molmil
DHP B in complex with 2,4-Dichlorophenol substrate
Descriptor: 2,4-dichlorophenol, Dehaloperoxidase B, GLYCEROL, ...
Authors:Carey, L.M, Ghiladi, R.A.
Deposit date:2021-03-10
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Mechanistic and Structural Studies of 2,4-dihalophenol: Bridging the Functional Gap between Reactivity and Inhibition in Dehaloperoxidase
To Be Published
7M06
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BU of 7m06 by Molmil
Dihydrodipicolinate synthase (DHDPS) from C.jejuni, Y110F mutant with R,R-bislysine bound at the allosteric site at 2.7 Angstrom
Descriptor: (2R,5R)-2,5-diamino-2,5-bis(4-aminobutyl)hexanedioic acid, 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ...
Authors:Saran, S, Sanders, D.A.R.
Deposit date:2021-03-10
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:B-FACTOR ANALYSIS SUGGEST THAT L-LYSINE AND R, R-BISLYSINE ALLOSTERICALLY INHIBIT Cj.DHDPS ENZYME BY DECREASING PROTEIN DYNAMICS
To Be Published
7LZN
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BU of 7lzn by Molmil
DHP B in complex with 2,4-Dichlorophenol substrate
Descriptor: 2,4-dichlorophenol, Dehaloperoxidase B, GLYCEROL, ...
Authors:Carey, L.M, Ghiladi, R.A.
Deposit date:2021-03-10
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mechanistic and Structural Studies of 2,4-dihalophenol: Bridging the Functional Gap between Reactivity and Inhibition in Dehaloperoxidase
To Be Published
6BV3
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BU of 6bv3 by Molmil
Crystal structure of porcine aminopeptidase-N with Leucine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chen, L, Lin, Y.-L, Li, F.
Deposit date:2017-12-12
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Rational Design of Therapeutic Peptides for Aminopeptidase N using a Substrate-Based Approach.
Sci Rep, 7, 2017
6EE3
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BU of 6ee3 by Molmil
X-ray crystal structure of Pf-M1 in complex with inhibitor (6k) and catalytic zinc ion
Descriptor: (1R,2r,3S,5R,7R)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]tricyclo[3.3.1.1~3,7~]decane-2-carboxamide, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2018-08-13
Release date:2018-12-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
6EED
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BU of 6eed by Molmil
X-ray crystal structure of Pf-M1 in complex with inhibitor (6p) and catalytic zinc ion
Descriptor: (2R)-2-[(cyclohexylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2018-08-13
Release date:2018-12-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
6BV1
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BU of 6bv1 by Molmil
Crystal structure of porcine aminopeptidase-N with Aspartic acid
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chen, L, Lin, Y.-L, Li, F.
Deposit date:2017-12-12
Release date:2018-01-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Rational Design of Therapeutic Peptides for Aminopeptidase N using a Substrate-Based Approach.
Sci Rep, 7, 2017
6EA2
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BU of 6ea2 by Molmil
X-ray crystal structure of Pf-M1 in complex with inhibitor (6h) and catalytic zinc ion
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2018-08-02
Release date:2018-12-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
6EAB
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BU of 6eab by Molmil
X-ray crystal structure of Pf-M1 in complex with inhibitor (6j) and catalytic zinc ion
Descriptor: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2018-08-02
Release date:2018-12-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
6EAA
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BU of 6eaa by Molmil
X-ray crystal structure of Pf-M1 in complex with inhibitor (6i) and catalytic zinc ion
Descriptor: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2018-08-02
Release date:2018-12-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
6EA1
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BU of 6ea1 by Molmil
X-ray crystal structure of Pf-M1 in complex with inhibitor (6da) and catalytic zinc ion
Descriptor: (2R)-2,3,3,3-tetrafluoro-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]propanamide, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2018-08-02
Release date:2018-12-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.815 Å)
Cite:Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
4L1R
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BU of 4l1r by Molmil
Glycoprotein B from Herpes Simplex Virus type 1, A549T Rate-of-Entry mutant, low-pH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Stampfer, S.D, Heldwein, E.E.
Deposit date:2013-06-03
Release date:2013-06-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.0255 Å)
Cite:

1CO7
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BU of 1co7 by Molmil
R117H mutant rat anionic trypsin complexed with bovine pancreatic trypsin inhibitor (BPTI)
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR, CALCIUM ION, TRYPSIN II
Authors:Stamper, G.F, Ringe, D, Hedstrom, L.
Deposit date:1999-06-07
Release date:2003-01-07
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:

227111

数据于2024-11-06公开中

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