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PDB: 1423 results

8TNC
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De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo niraparib
Descriptor: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, De novo designed protein
Authors:Lu, L, DeGrado, W.F.
Deposit date:2023-08-01
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
8TN1
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BU of 8tn1 by Molmil
De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - apo
Descriptor: De novo designed 4 helix bundles, SULFATE ION
Authors:Lu, L, DeGrado, W.F.
Deposit date:2023-08-01
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
8TND
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BU of 8tnd by Molmil
De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo veliparib
Descriptor: (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium, De novo designed protein, SULFATE ION
Authors:Lu, L, DeGrado, W.F.
Deposit date:2023-08-01
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
8TN6
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BU of 8tn6 by Molmil
De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo rucaparib
Descriptor: De novo designed protein, Rucaparib
Authors:Lu, L, DeGrado, W.F.
Deposit date:2023-08-01
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
7U4A
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BU of 7u4a by Molmil
Crystal Structure of Zika virus xrRNA1 mutant
Descriptor: MAGNESIUM ION, RNA (70-MER)
Authors:Thompson, R.D, Carbaugh, D.L, Nielsen, J.R, Witt, C, Meganck, R.M, Rangadurai, A, Zhao, B, Bonin, J.P, Nathan, N.T, Marzluff, W.F, Frank, A.T, Lazear, H.M, Zhang, Q.
Deposit date:2022-02-28
Release date:2023-09-06
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Dynamic Basis of Xrn1 Resistance in Mosquito-borne Flavivirus RNA
To Be Published
7UDV
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BU of 7udv by Molmil
Designed pentameric proton channel LLQL
Descriptor: De novo designed proton channel LLQL
Authors:Kratochvil, H.T, Thomaston, J.L, Liu, L, DeGrado, W.F.
Deposit date:2022-03-20
Release date:2022-04-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
7UDZ
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BU of 7udz by Molmil
Designed pentameric proton channel LQLL
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed pentameric proton channel LQLL
Authors:Kratochvil, H.T, Thomaston, J.L, Mravic, M, Nicoludis, J.M, Liu, L, DeGrado, W.F.
Deposit date:2022-03-20
Release date:2022-04-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
7UDW
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BU of 7udw by Molmil
Designed pentameric proton channel QQLL
Descriptor: De novo designed pentameric proton channel QQLL
Authors:Kratochvil, H.T, Thomaston, J.L, Mravic, M, Nicoludis, J, Liu, L, DeGrado, W.F.
Deposit date:2022-03-20
Release date:2022-04-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
7UDY
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BU of 7udy by Molmil
Designed pentameric channel QLLL
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Designed channel QLLL
Authors:Kratochvil, H.T, Thomaston, J.L, Liu, L, DeGrado, W.F.
Deposit date:2022-03-20
Release date:2022-04-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
7UDX
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BU of 7udx by Molmil
Designed pentameric proton channel QLQL
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed pentameric proton channel QLQL
Authors:Kratochvil, H.T, Thomaston, J.L, Liu, L, DeGrado, W.F.
Deposit date:2022-03-20
Release date:2022-04-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
3H02
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BU of 3h02 by Molmil
2.15 Angstrom Resolution Crystal Structure of Naphthoate Synthase from Salmonella typhimurium.
Descriptor: BICARBONATE ION, Naphthoate synthase, SULFATE ION
Authors:Minasov, G, Wawrzak, Z, Skarina, T, Onopriyenko, O, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-04-08
Release date:2009-04-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:2.15 Angstrom Resolution Crystal Structure of Naphthoate Synthase from Salmonella typhimurium.
TO BE PUBLISHED
3GVD
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BU of 3gvd by Molmil
Crystal Structure of Serine Acetyltransferase CysE from Yersinia pestis
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ACETIC ACID, CYSTEINE, ...
Authors:Kim, Y, Zhou, M, Peterson, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-03-30
Release date:2009-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Serine Acetyltransferase CysE from Yersinia pestis
To be Published
3H0P
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BU of 3h0p by Molmil
2.0 Angstrom Crystal Structure of an Acyl Carrier Protein S-malonyltransferase from Salmonella typhimurium.
Descriptor: S-malonyltransferase, SULFATE ION
Authors:Minasov, G, Wawrzak, Z, Skarina, T, Onopriyenko, O, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-04-10
Release date:2009-04-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:2.0 Angstrom Crystal Structure of an Acyl Carrier Protein S-malonyltransferase from Salmonella typhimurium.
TO BE PUBLISHED
3H5Q
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BU of 3h5q by Molmil
Crystal structure of a putative pyrimidine-nucleoside phosphorylase from Staphylococcus aureus
Descriptor: Pyrimidine-nucleoside phosphorylase, SULFATE ION, THYMIDINE
Authors:Shumilin, I.A, Zimmerman, M, Cymborowski, M, Skarina, T, Onopriyenko, O, Anderson, W.F, Savchenko, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-04-22
Release date:2009-05-26
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal structure of a putative pyrimidine-nucleoside phosphorylase from Staphylococcus aureus
TO BE PUBLISHED
3GO9
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BU of 3go9 by Molmil
Predicted insulinase family protease from Yersinia pestis
Descriptor: DI(HYDROXYETHYL)ETHER, ZINC ION, insulinase family protease
Authors:Osipiuk, J, Maltseva, N, Onopriyenko, O, Peterson, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-03-18
Release date:2009-04-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:X-ray crystal structure of predicted insulinase family protease from Yersinia pestis.
To be Published
3GRI
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BU of 3gri by Molmil
The Crystal Structure of a Dihydroorotase from Staphylococcus aureus
Descriptor: CALCIUM ION, CHLORIDE ION, Dihydroorotase, ...
Authors:Brunzelle, J.S, Wawrzak, Z, Skarina, T, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-03-25
Release date:2009-05-19
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Crystal Structure of a Dihydroorotase from Staphylococcus aureus
To be Published
3H1S
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BU of 3h1s by Molmil
Crystal structure of superoxide dismutase from Francisella tularensis subsp. tularensis SCHU S4
Descriptor: FE (III) ION, GLYCEROL, Superoxide dismutase
Authors:Nocek, B, Zhou, M, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-04-13
Release date:2009-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of superoxide dismutase from Francisella tularensis subsp. tularensis SCHU S4
To be Published
3GSD
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BU of 3gsd by Molmil
2.05 Angstrom structure of a divalent-cation tolerance protein (CutA) from Yersinia pestis
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Minasov, G, Wawrzak, Z, Skarina, T, Onopriyenko, O, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-03-26
Release date:2009-04-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:2.05 Angstrom Structure of a Divalent-cation Tolerance Protein (CutA) from Yersinia pestis
TO BE PUBLISHED
3H07
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BU of 3h07 by Molmil
Crystal structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase from Yersinia pestis CO92
Descriptor: 3,4-dihydroxy-2-butanone 4-phosphate synthase
Authors:Nocek, B, Gu, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-04-08
Release date:2009-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase from Yersinia pestis CO92
To be Published
3H2Y
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BU of 3h2y by Molmil
Crystal structure of YqeH GTPase from Bacillus anthracis with dGDP bound
Descriptor: 2'-DEOXYGUANOSINE-5'-DIPHOSPHATE, GTPase family protein
Authors:Brunzelle, J.S, Anderson, S.M, Xu, X, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-04-15
Release date:2009-06-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of YqeH GTPase from Bacillus anthracis with dGDP Bound
To be Published
3GSE
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BU of 3gse by Molmil
Crystal structure of menaquinone-specific isochorismate synthase from Yersinia pestis CO92
Descriptor: Menaquinone-specific isochorismate synthase, SULFATE ION
Authors:Nocek, B, Gu, M, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-03-26
Release date:2009-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal structure of menaquinone-specific isochorismate synthase from Yersinia pestis CO92
To be Published
3HFR
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BU of 3hfr by Molmil
Crystal structure of glutamate racemase from Listeria monocytogenes
Descriptor: CHLORIDE ION, Glutamate racemase, O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500)
Authors:Majorek, K.A, Chruszcz, M, Zimmerman, M.D, Klimecka, M.M, Cymborowski, M, Skarina, T, Onopriyenko, O, Stam, J, Otwinowski, Z, Anderson, W.F, Savchenko, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-05-12
Release date:2009-06-09
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of glutamate racemase from Listeria monocytogenes
TO BE PUBLISHED
3HRL
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BU of 3hrl by Molmil
Crystal structure of a putative endonuclease-like protein (ngo0050) from neisseria gonorrhoeae
Descriptor: CHLORIDE ION, Endonuclease-Like Protein
Authors:Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Cobb, G, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-06-09
Release date:2009-06-30
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of a Putative Endonuclease-Like Protein (Ngo0050) from Neisseria Gonorrhoeae
To be Published
3HUD
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BU of 3hud by Molmil
THE STRUCTURE OF HUMAN BETA 1 BETA 1 ALCOHOL DEHYDROGENASE: CATALYTIC EFFECTS OF NON-ACTIVE-SITE SUBSTITUTIONS
Descriptor: ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
Authors:Hurley, T.D, Bosron, W.F, Hamilton, J.A, Amzel, L.M.
Deposit date:1993-01-04
Release date:1994-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of human beta 1 beta 1 alcohol dehydrogenase: catalytic effects of non-active-site substitutions.
Proc.Natl.Acad.Sci.USA, 88, 1991
2IDZ
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BU of 2idz by Molmil
Crystal structure of wild type Enoyl-ACP(CoA) reductase from Mycobacterium tuberculosis in complex with NADH-INH
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH], ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE
Authors:Dias, M.V.B, Prado, M.P.X, Vasconcelos, I.B, Valmir, F, Basso, L.A, Santos, D.S, Azevedo Jr, W.F.
Deposit date:2006-09-15
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic studies on the binding of isonicotinyl-NAD adduct to wild-type and isoniazid resistant 2-trans-enoyl-ACP (CoA) reductase from Mycobacterium tuberculosis.
J.Struct.Biol., 159, 2007

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PDB entries from 2024-10-30

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