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7QX3
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BU of 7qx3 by Molmil
Structure of the transaminase TR2E2 with EOS
Descriptor: 2-azanylethyl hydrogen sulfate, Aminotransferase TR2
Authors:Roda, S, Fernandez-Lopez, L, Benedens, M, Bollinger, A, Thies, S, Schumacher, J, Coscolin, C, Kazemi, M, Santiago, G, Gertzen, C.G, Gonzalez-Alfonso, J, Plou, F.J, Jaeger, K.E, Smits, S.H, Ferrer, M, Guallar, V.
Deposit date:2022-01-26
Release date:2023-08-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions.
Angew.Chem.Int.Ed.Engl., 61, 2022
7QX0
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BU of 7qx0 by Molmil
Transaminase Structure of Plurienzyme (Tr2E2) in complex with PLP
Descriptor: Aminotransferase TR2, PYRIDOXAL-5'-PHOSPHATE
Authors:Roda, S, Fernandez-Lopez, L, Benedens, M, Bollinger, A, Thies, S, Schumacher, J, Coscolin, C, Kazemi, M, Santiago, G, Gertzen, C.G, Gonzalez-Alfonso, J, Plou, F.J, Jaeger, K.E, Smits, S.H, Ferrer, M, Guallar, V.
Deposit date:2022-01-26
Release date:2023-08-16
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions.
Angew Chem Int Ed Engl, 61, 2022
7QYG
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BU of 7qyg by Molmil
Structure of the transaminase TR2
Descriptor: Aminotransferase TR2
Authors:Roda, S, Fernandez-Lopez, L, Benedens, M, Bollinger, A, Thies, S, Schumacher, J, Coscolin, C, Kazemi, M, Santiago, G, Gertzen, C.G, Gonzalez-Alfonso, J, Plou, F.J, Jaeger, K.E, Smits, S.H, Ferrer, M, Guallar, V.
Deposit date:2022-01-28
Release date:2023-08-16
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions.
Angew Chem Int Ed Engl, 61, 2022
5UJ7
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BU of 5uj7 by Molmil
Structure of the active form of human Origin Recognition Complex ATPase motor module, complex subunitS 1, 4, 5
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Origin recognition complex subunit 1, ...
Authors:Tocilj, A, Elkayam, E, On, K.F, Joshua-Tor, L.
Deposit date:2017-01-17
Release date:2017-02-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.394 Å)
Cite:Structure of the active form of human Origin Recognition Complex and its ATPase motor module.
Elife, 6, 2017
7QFV
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BU of 7qfv by Molmil
Crystal structure of KLK6 in complex with compound 17a
Descriptor: KLK6 Activity-Based Probe (Ahx-DPhe-Ser(Z)-Dht-Arg-DPP), Kallikrein-6
Authors:Jagtap, P.K.A, Zhang, L, De Vita, E, Tate, E.W, Hennig, J.
Deposit date:2021-12-06
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:A KLK6 Activity-Based Probe Reveals a Role for KLK6 Activity in Pancreatic Cancer Cell Invasion.
J.Am.Chem.Soc., 144, 2022
7QFT
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BU of 7qft by Molmil
Crystal structure of KLK6 in complex with compound 16a
Descriptor: KLK6 Activity-Based Probe (Ahx-DPhe-Cha-Dht-Arg-DPP), Kallikrein-6
Authors:Jagtap, P.K.A, Zhang, L, De Vita, E, Tate, E.W, Hennig, J.
Deposit date:2021-12-06
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:A KLK6 Activity-Based Probe Reveals a Role for KLK6 Activity in Pancreatic Cancer Cell Invasion.
J.Am.Chem.Soc., 144, 2022
1JFV
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BU of 1jfv by Molmil
X-Ray Structure of oxidised C10S, C15A arsenate reductase from pI258
Descriptor: PERCHLORATE ION, POTASSIUM ION, arsenate reductase
Authors:Zegers, I, Martins, J.C, Willem, R, Wyns, L, Messens, J.
Deposit date:2001-06-22
Release date:2001-10-03
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Arsenate reductase from S. aureus plasmid pI258 is a phosphatase drafted for redox duty.
Nat.Struct.Biol., 8, 2001
1JH5
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BU of 1jh5 by Molmil
Crystal Structure of sTALL-1 of TNF family ligand
Descriptor: TUMOR NECROSIS FACTOR LIGAND SUPERFAMILY MEMBER 13B
Authors:Liu, Y, Xu, L, Opalka, N, Shu, H.-B, Zhang, G.
Deposit date:2001-06-27
Release date:2002-02-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of sTALL-1 reveals a virus-like assembly of TNF family ligands.
Cell(Cambridge,Mass.), 108, 2002
4NFV
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BU of 4nfv by Molmil
Previously de-ionized HEW lysozyme batch crystallized in 1.1 M MnCl2
Descriptor: CHLORIDE ION, Lysozyme C, MANGANESE (II) ION
Authors:Benas, P, Legrand, L, Ries-Kautt, M.
Deposit date:2013-11-01
Release date:2014-05-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry.
Acta Crystallogr.,Sect.D, 70, 2014
1OAJ
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BU of 1oaj by Molmil
Active site copper and zinc ions modulate the quaternary structure of prokaryotic Cu,Zn superoxide dismutase
Descriptor: COPPER (II) ION, SUPEROXIDE DISMUTASE, ZINC ION
Authors:Cioni, P, Pesce, A, Rocca, B.M.D, Castelli, S, Falconi, M, Parrilli, L, Bolognesi, M, Strambini, G, Desideri, A.
Deposit date:2003-01-14
Release date:2003-02-27
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Active-Site Copper and Zinc Ions Modulate the Quaternary Structure of Prokaryotic Cu,Zn Superoxide Dismutase
J.Mol.Biol., 326, 2003
1NM8
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BU of 1nm8 by Molmil
Structure of Human Carnitine Acetyltransferase: Molecular Basis for Fatty Acyl Transfer
Descriptor: Carnitine O-acetyltransferase
Authors:Wu, D, Govindasamy, L, Lian, W, Gu, Y, Kukar, T, Agbandje-McKenna, M, McKenna, R.
Deposit date:2003-01-09
Release date:2003-03-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of Human Carnitine Acetyltransferase. Molecular Basis for Fatty Acyl Transfer
J.Biol.Chem., 278, 2003
7RJ3
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BU of 7rj3 by Molmil
Crystal Structure of the Forkhead Associated (FHA) Domain of the Glycogen Accumulation Regulator (GarA) from Mycobacterium tuberculosis
Descriptor: DI(HYDROXYETHYL)ETHER, Glycogen accumulation regulator GarA
Authors:Minasov, G, Shuvalova, L, Pshenychnyi, S, Dubrovska, I, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-07-20
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal Structure of the Forkhead Associated (FHA) Domain of the Glycogen Accumulation Regulator (GarA) from Mycobacterium tuberculosis.
To Be Published
5UKB
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BU of 5ukb by Molmil
VSV N PROTEIN IN COMPLEX WITH INHIBITORY NANOBODY 1004
Descriptor: Anti-vesicular stomatitis virus N VHH, Nucleocapsid, RNA (45-MER)
Authors:Hanke, L, Knockenhauer, K.E, Ploegh, H.L, Schwartz, T.U.
Deposit date:2017-01-20
Release date:2017-04-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (5.473 Å)
Cite:Vesicular stomatitis virus N protein-specific single-domain antibody fragments inhibit replication.
EMBO Rep., 18, 2017
7RJJ
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BU of 7rjj by Molmil
Crystal Structure of the Peptidoglycan Binding Domain of the Outer Membrane Protein (OmpA) from Klebsiella pneumoniae with bound D-alanine
Descriptor: CHLORIDE ION, D-ALANINE, OmpA family protein
Authors:Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-07-21
Release date:2021-07-28
Last modified:2023-06-14
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
5UOI
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BU of 5uoi by Molmil
Solution structure of the de novo mini protein HHH_rd1_0142
Descriptor: HHH_rd1_0142
Authors:Houliston, S, Rocklin, G.J, Lemak, A, Carter, L, Chidyausiku, T.M, Baker, D, Arrowsmith, C.H.
Deposit date:2017-01-31
Release date:2017-07-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Global analysis of protein folding using massively parallel design, synthesis, and testing.
Science, 357, 2017
5UZ9
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BU of 5uz9 by Molmil
Cryo EM structure of anti-CRISPRs, AcrF1 and AcrF2, bound to type I-F crRNA-guided CRISPR surveillance complex
Descriptor: Anti-CRISPR protein 30, Anti-CRISPR protein Acr30-35, CRISPR RNA (60-MER), ...
Authors:Chowdhury, S, Carter, J, Rollins, M.F, Jackson, R.N, Hoffmann, C, Nosaka, L, Bondy-Denomy, J, Maxwell, K.L, Davidson, A.R, Fischer, E.R, Lander, G.C, Wiedenheft, B.
Deposit date:2017-02-25
Release date:2017-04-26
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure Reveals Mechanisms of Viral Suppressors that Intercept a CRISPR RNA-Guided Surveillance Complex.
Cell, 169, 2017
7RLR
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BU of 7rlr by Molmil
Crystal Structure of K83A Mutant of Class D beta-lactamase from Clostridium difficile 630
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Beta-lactamase, ...
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Rosas-Lemus, M, Jedrzejczak, R, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-07-26
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal Structure of K83A Mutant of Class D beta-lactamase from Clostridium difficile 630
To Be Published
1JXG
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BU of 1jxg by Molmil
The 1.6 A Resolution Crystal Structure of a Mutant Poplar Plastocyanin Bearing a 21-25 Engeneered Disulfide Bridge
Descriptor: COPPER (I) ION, PLASTOCYANIN A, SULFATE ION
Authors:Milani, M, Andolfi, L, Cannistraro, S, Verbeet, M.P, Bolognesi, M.
Deposit date:2001-09-07
Release date:2001-12-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The 1.6 A resolution crystal structure of a mutant plastocyanin bearing a 21-25 engineered disulfide bridge.
Acta Crystallogr.,Sect.D, 57, 2001
1JBY
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BU of 1jby by Molmil
CRYSTAL STRUCTURE ANALYSIS OF A DUAL-WAVELENGTH EMISSION GREEN FLUORESCENT PROTEIN VARIANT AT LOW PH
Descriptor: GREEN FLUORESCENT PROTEIN
Authors:Hanson, G.T, McAnaney, T.B, Park, E.S, Rendell, M.E.P, Yarbrough, D.K, Chu, S, Xi, L, Boxer, S.G, Montrose, M.H, Remington, S.J.
Deposit date:2001-06-07
Release date:2003-01-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Green Fluorescent Protein Variants as Ratiometric Dual Emission pH Sensors. 1. Structural Characterization and Preliminary Application.
Biochemistry, 41, 2002
5V6Z
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BU of 5v6z by Molmil
Crystal structure of human caspase-7 soaked with allosteric inhibitor 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid
Descriptor: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid, Caspase-7
Authors:Vance, N.R, Gakhar, L, Spies, M.A.
Deposit date:2017-03-17
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of human caspase-7 soaked with allosteric inhibitor
To Be Published
7RL8
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BU of 7rl8 by Molmil
Crystal Structure of C79A Mutant of Class D beta-lactamase from Clostridium difficile 630
Descriptor: Beta-lactamase, DI(HYDROXYETHYL)ETHER, SULFATE ION
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Rosas-Lemus, M, Jedrzejczak, R, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-07-23
Release date:2021-08-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of C79A Mutant of Class D beta-lactamase from Clostridium difficile 630
To Be Published
7REF
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BU of 7ref by Molmil
Structure of MS3494 from Mycobacterium smegmatis
Descriptor: BROMIDE ION, MS3494
Authors:Kent, J.E, Aleshin, A.E, Zhang, L, Niederweis, M, Marassi, F.M.
Deposit date:2021-07-12
Release date:2021-08-18
Last modified:2022-06-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A periplasmic cinched protein is required for siderophore secretion and virulence of Mycobacterium tuberculosis.
Nat Commun, 13, 2022
7RBQ
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BU of 7rbq by Molmil
Co-crystal structure of human PRMT9 in complex with MT556 inhibitor
Descriptor: 1,2-ETHANEDIOL, 7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Protein arginine N-methyltransferase 9, ...
Authors:Zeng, H, Dong, A, Hutchinson, A, Seitova, A, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2021-07-06
Release date:2021-08-11
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Co-crystal structure of human PRMT9 in complex with MT556 inhibitor
To Be Published
1JBA
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BU of 1jba by Molmil
UNMYRISTOYLATED GCAP-2 WITH THREE CALCIUM IONS BOUND
Descriptor: CALCIUM ION, PROTEIN (GUANYLATE CYCLASE ACTIVATING PROTEIN 2)
Authors:Ames, J.B, Dizhoor, A.M, Ikura, M, Palczewski, K, Stryer, L.
Deposit date:1999-04-03
Release date:1999-12-10
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Three-dimensional structure of guanylyl cyclase activating protein-2, a calcium-sensitive modulator of photoreceptor guanylyl cyclases.
J.Biol.Chem., 274, 1999
1NHU
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BU of 1nhu by Molmil
Hepatitis C virus RNA polymerase in complex with non-nucleoside analogue inhibitor
Descriptor: (2S)-2-[(2,4-DICHLORO-BENZOYL)-(3-TRIFLUOROMETHYL-BENZYL)-AMINO]-3-PHENYL-PROPIONIC ACID, HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE
Authors:Wang, M, Ng, K.K.S, Cherney, M.M, Chan, L, Yannopoulos, C.G, Bedard, J, Morin, N, Nguyen-Ba, N, Alaoui-Ismaili, M.H, Bethell, R.C, James, M.N.G.
Deposit date:2002-12-19
Release date:2003-03-18
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Non-Nucleoside Analogue Inhibitors Bind to an Allosteric Site on HCV NS5B Polymerase: Crystal Structures and Mechanism of Inhibition
J.Biol.Chem., 278, 2003

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