6VIO
 
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8OYY
 | | De novo designed soluble GPCR-like fold GLF_32 | | Descriptor: | CHLORIDE ION, De novo designed soluble GPCR-like protein, POTASSIUM ION | | Authors: | Pacesa, M, Correia, B.E. | | Deposit date: | 2023-05-05 | | Release date: | 2023-10-18 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Computational design of soluble and functional membrane protein analogues.
Nature, 631, 2024
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7ETA
 | | Crystal structure of AbHpaI-Co-pyruvate complex, Class II aldolase, HpaI from Acinetobacter baumannii | | Descriptor: | 4-hydroxy-2-oxoheptanedioate aldolase, CALCIUM ION, COBALT (II) ION, ... | | Authors: | Watthaisong, P, Binlaeh, A, Jaruwat, A, Chaiyen, P, Chitnumsub, P, Maenpuen, S. | | Deposit date: | 2021-05-12 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii.
J.Biol.Chem., 297, 2021
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7ETF
 | | Crystal structure of AbHpaI-Mn-pyruvate-succinic semialdehyde complex, Class II aldolase, HpaI from Acinetobacter baumannii | | Descriptor: | 4-hydroxy-2-oxoheptanedioate aldolase, 4-oxobutanoic acid, CALCIUM ION, ... | | Authors: | Watthaisong, P, Binlaeh, A, Jaruwat, A, Chaiyen, P, Chitnumsub, P, Maenpuen, S. | | Deposit date: | 2021-05-12 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii.
J.Biol.Chem., 297, 2021
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7ETB
 | | Crystal structure of AbHpaI-Mn-pyruvate complex, Class II aldolase, HpaI from Acinetobacter baumannii | | Descriptor: | 4-hydroxy-2-oxoheptanedioate aldolase, CALCIUM ION, MANGANESE (II) ION, ... | | Authors: | Watthaisong, P, Binlaeh, A, Jaruwat, A, Chaiyen, P, Chitnumsub, P, Maenpuen, S. | | Deposit date: | 2021-05-12 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii.
J.Biol.Chem., 297, 2021
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7ETC
 | | Crystal structure of AbHpaI-Zn-(4R)-KDGal complex, Class II aldolase, HpaI from Acinetobacter baumannii | | Descriptor: | (4R,5R)-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexanoic acid, 4-hydroxy-2-oxoheptanedioate aldolase, CALCIUM ION, ... | | Authors: | Watthaisong, P, Binlaeh, A, Jaruwat, A, Chaiyen, P, Chitnumsub, P, Maenpuen, S. | | Deposit date: | 2021-05-12 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii.
J.Biol.Chem., 297, 2021
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7ETG
 | | Crystal structure of AbHpaI-Co-pyruvate-succinic semialdehyde complex, Class II aldolase, HpaI from Acinetobacter baumannii | | Descriptor: | 4-hydroxy-2-oxoheptanedioate aldolase, 4-oxobutanoic acid, CALCIUM ION, ... | | Authors: | Watthaisong, P, Binlaeh, A, Jaruwat, A, Chaiyen, P, Chitnumsub, P, Maenpuen, S. | | Deposit date: | 2021-05-12 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii.
J.Biol.Chem., 297, 2021
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7ETH
 | | Crystal structure of AbHpaI-Zn-pyruvate-propionaldehyde complex, Class II aldolase, HpaI from Acinetobacter baumannii | | Descriptor: | 4-hydroxy-2-oxoheptanedioate aldolase, CALCIUM ION, PROPANAL, ... | | Authors: | Watthaisong, P, Binlaeh, A, Jaruwat, A, Chaiyen, P, Chitnumsub, P, Maenpuen, S. | | Deposit date: | 2021-05-12 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii.
J.Biol.Chem., 297, 2021
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7ET9
 | | Crystal structure of AbHpaI-Zn-pyruvate complex, Class II aldolase, HpaI from Acinetobacter baumannii | | Descriptor: | 4-hydroxy-2-oxoheptanedioate aldolase, CALCIUM ION, PYRUVIC ACID, ... | | Authors: | Watthaisong, P, Binlaeh, A, Jaruwat, A, Chaiyen, P, Chitnumsub, P, Maenpuen, S. | | Deposit date: | 2021-05-12 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii.
J.Biol.Chem., 297, 2021
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7ETD
 | | Crystal structure of AbHpaI-Zn-(4S)-KDGlu complex, Class II aldolase, HpaI from Acinetobacter baumannii | | Descriptor: | 2-KETO-3-DEOXYGLUCONATE, 4-hydroxy-2-oxoheptanedioate aldolase, CALCIUM ION, ... | | Authors: | Watthaisong, P, Binlaeh, A, Jaruwat, A, Chaiyen, P, Chitnumsub, P, Maenpuen, S. | | Deposit date: | 2021-05-12 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii.
J.Biol.Chem., 297, 2021
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7ET8
 | | Crystal structure of thermostable AbHpaI, a class II metal dependent pyruvate aldolase, HpaI from Acinetobacter baumannii | | Descriptor: | 4-hydroxy-2-oxoheptanedioate aldolase, CALCIUM ION | | Authors: | Watthaisong, P, Binlaeh, A, Jaruwat, A, Chaiyen, P, Chitnumsub, P, Maenpuen, S. | | Deposit date: | 2021-05-12 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii.
J.Biol.Chem., 297, 2021
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7ETE
 | | Crystal structure of AbHpaI-Mg-(4R)-KDGal complex, Class II aldolase, HpaI from Acinetobacter baumannii | | Descriptor: | (4R,5R)-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexanoic acid, 4-hydroxy-2-oxoheptanedioate aldolase, CALCIUM ION, ... | | Authors: | Watthaisong, P, Binlaeh, A, Jaruwat, A, Chaiyen, P, Chitnumsub, P, Maenpuen, S. | | Deposit date: | 2021-05-12 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii.
J.Biol.Chem., 297, 2021
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7ETI
 | | Crystal structure of AbHpaI-Zn-pyruvate-4-hydroxybenzaldehyde complex, Class II aldolase, HpaI from Acinetobacter baumannii | | Descriptor: | 4-hydroxy-2-oxoheptanedioate aldolase, CALCIUM ION, P-HYDROXYBENZALDEHYDE, ... | | Authors: | Watthaisong, P, Binlaeh, A, Jaruwat, A, Chaiyen, P, Chitnumsub, P, Maenpuen, S. | | Deposit date: | 2021-05-12 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii.
J.Biol.Chem., 297, 2021
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6VRG
 | | Structure of HIV-1 integrase with native amino-terminal sequence | | Descriptor: | Integrase, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | Eilers, G, Gupta, K, Allen, A, Zhou, J, Hwang, Y, Cory, M, Bushman, F.D, Van Duyne, G.D. | | Deposit date: | 2020-02-07 | | Release date: | 2020-09-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Influence of the amino-terminal sequence on the structure and function of HIV integrase.
Retrovirology, 17, 2020
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6VIW
 | | BRD4_Bromodomain1 complex with pyrrolopyridone compound 18 | | Descriptor: | 4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 4 | | Authors: | Longenecker, K.L, Park, C.H, Qiu, W. | | Deposit date: | 2020-01-14 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.429 Å) | | Cite: | Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain.
J.Med.Chem., 63, 2020
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8OOX
 | | Glutamine synthetase from Methermicoccus shengliensis at a resolution of 3.09 A | | Descriptor: | CITRIC ACID, GLYCEROL, Glutamine synthetase, ... | | Authors: | Mueller, M.-C, Lemaire, O.N, Wagner, T. | | Deposit date: | 2023-04-06 | | Release date: | 2024-01-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | Differences in regulation mechanisms of glutamine synthetases from methanogenic archaea unveiled by structural investigations.
Commun Biol, 7, 2024
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8HGU
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7F6Q
 | | Crystal structure of metal-citrate-binding mutant (S79A) protein (MctA) of ABC transporter in apo state | | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, ACETATE ION, ... | | Authors: | Kanaujia, S.P, Mandal, S.K. | | Deposit date: | 2021-06-25 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily.
Acta Crystallogr D Struct Biol, 77, 2021
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8OXN
 | | CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) S101A VARIANT COMPLEXED WITH 2-METHYL-QUINOLIN-4(1H)-ONE UNDER NORMOXYC CONDITIONS | | Descriptor: | 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, GLYCEROL, ... | | Authors: | Bui, S, Steiner, R.A. | | Deposit date: | 2023-05-02 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023
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7F6F
 | | Crystal structure of metal-citrate-binding protein (MctA) of ABC transporter endogenously bound to Mg2+-citrate complex (Form II) | | Descriptor: | 1,2-ETHANEDIOL, CARBON DIOXIDE, CITRIC ACID, ... | | Authors: | Kanaujia, S.P, Mandal, S.K, Gogoi, P. | | Deposit date: | 2021-06-25 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily.
Acta Crystallogr D Struct Biol, 77, 2021
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7F6P
 | | Crystal structure of metal-citrate-binding mutant (D28A) protein (MctA) of ABC transporter endogenously bound to citrate | | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, CARBON DIOXIDE, ... | | Authors: | Kanaujia, S.P, Mandal, S.K. | | Deposit date: | 2021-06-25 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily.
Acta Crystallogr D Struct Biol, 77, 2021
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8HMO
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6VN0
 | | BG505 SOSIP.v4.1 in complex with rhesus macaque Fab RM20F | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ... | | Authors: | Cottrell, C.A, Shin, M, Ward, A.B. | | Deposit date: | 2020-01-29 | | Release date: | 2020-06-24 | | Last modified: | 2020-09-16 | | Method: | ELECTRON MICROSCOPY (4.25 Å) | | Cite: | Mapping the immunogenic landscape of near-native HIV-1 envelope trimers in non-human primates.
Plos Pathog., 16, 2020
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7F6R
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7FJ0
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