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6II1
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BU of 6ii1 by Molmil
Crystal Structure Analysis of CO form hemoglobin from Bos taurus
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Kihira, K, Morita, Y, Yamada, T, Kureishi, M, Komatsu, T.
Deposit date:2018-10-03
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Quaternary Structure Analysis of a Hemoglobin Core in Hemoglobin-Albumin Cluster.
J Phys Chem B, 122, 2018
5X1S
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BU of 5x1s by Molmil
PpkA-294 with Amppcp
Descriptor: GLYCEROL, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, PpkA
Authors:Li, P.P, Ran, T.T, Xu, D.Q, Wang, W.W.
Deposit date:2017-01-26
Release date:2018-01-31
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structures of the kinase domain of PpkA, a key regulatory component of T6SS, reveal a general inhibitory mechanism.
Biochem.J., 475, 2018
8E54
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BU of 8e54 by Molmil
MicroED structure of triclinic lysozyme recorded on K3
Descriptor: Lysozyme C, NITRATE ION
Authors:Clabbers, M.T.B, Martynowycz, M.W, Hattne, J, Nannenga, B.L, Gonen, T.
Deposit date:2022-08-19
Release date:2022-09-21
Last modified:2022-10-19
Method:ELECTRON CRYSTALLOGRAPHY (1.2 Å)
Cite:Electron-counting MicroED data with the K2 and K3 direct electron detectors.
J.Struct.Biol., 214, 2022
6LJV
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BU of 6ljv by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
Descriptor: 2-[[3-chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
Deposit date:2019-12-17
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
5WDZ
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BU of 5wdz by Molmil
Structure of monomeric Interleukin-8 (1-66)
Descriptor: Interleukin-8
Authors:Berkamp, S, Opella, S.J, Marassi, F.M.
Deposit date:2017-07-06
Release date:2017-11-29
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of monomeric Interleukin-8 and its interactions with the N-terminal Binding Site-I of CXCR1 by solution NMR spectroscopy.
J. Biomol. NMR, 69, 2017
6L14
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BU of 6l14 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
Descriptor: 2-chloranyl-10-[3-[(3~{S})-piperidin-3-yl]propyl]phenoxazine, Serine/threonine-protein kinase pim-1
Authors:Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
Deposit date:2019-09-27
Release date:2020-05-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
8JAH
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BU of 8jah by Molmil
Crystal structure of human CLEC12A C-type lectin domain
Descriptor: C-type lectin domain family 12 member A, POTASSIUM ION, SULFATE ION
Authors:Lei, Q, Tang, H, Dong, X.
Deposit date:2023-05-06
Release date:2024-03-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Mechanistic insights into the C-type lectin receptor CLEC12A-mediated immune recognition of monosodium urate crystal.
J.Biol.Chem., 300, 2024
6XH3
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BU of 6xh3 by Molmil
Co-crystal structure of HIV-1 TAR RNA in complex with lab-evolved RRM TBP6.3
Descriptor: TAR BINDING PROTEIN TBP 6.3, TRANS-ACTIVATION RESPONSE ELEMENT
Authors:Chavali, S.S, Jenkins, J.L, Wedekind, J.E.
Deposit date:2020-06-18
Release date:2020-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.353 Å)
Cite:Co-crystal structures of HIV TAR RNA bound to lab-evolved proteins show key roles for arginine relevant to the design of cyclic peptide TAR inhibitors.
J.Biol.Chem., 295, 2020
6IN4
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BU of 6in4 by Molmil
Crystal structure of apo DAPK1 in the presence of 18-crown-6
Descriptor: Death-associated protein kinase 1, SULFATE ION
Authors:Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M.
Deposit date:2018-10-24
Release date:2019-10-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crown Ethers as Transthyretin Amyloidogenesis Inhibitor
To Be Published
5X2U
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BU of 5x2u by Molmil
Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin after Adding 80 mM phosphate pH 6.7.
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Ohki, M, Park, S.-Y.
Deposit date:2017-02-02
Release date:2017-09-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Direct observation of conformational population shifts in crystalline human hemoglobin.
J. Biol. Chem., 292, 2017
6IPY
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BU of 6ipy by Molmil
His-tagged Fyn SH3 domain R96I mutant
Descriptor: Tyrosine-protein kinase Fyn
Authors:Arold, S.T, Aljedani, S.S, Shahul Hameed, U.F.
Deposit date:2018-11-05
Release date:2018-11-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.343 Å)
Cite:Synergy and allostery in ligand binding by HIV-1 Nef.
Biochem.J., 478, 2021
8IYX
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BU of 8iyx by Molmil
Cryo-EM structure of the GPR34 receptor in complex with the antagonist YL-365
Descriptor: 1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid, Probable G-protein coupled receptor 34,YL-365
Authors:Jia, G.W, Wang, X, Zhang, C.B, Dong, H.H, Su, Z.M.
Deposit date:2023-04-06
Release date:2024-03-20
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023
5X40
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BU of 5x40 by Molmil
Structure of a CbiO dimer bound with AMPPCP
Descriptor: Cobalt ABC transporter ATP-binding protein, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Bao, Z, Qi, X, Wang, J, Zhang, P.
Deposit date:2017-02-09
Release date:2017-04-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure and mechanism of a group-I cobalt energy coupling factor transporter
Cell Res., 27, 2017
8DS5
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BU of 8ds5 by Molmil
X-ray structure of the MK5890 Fab - CD27 antibody-antigen complex
Descriptor: CADMIUM ION, CD27 antigen, MK-5890 Fab heavy chain, ...
Authors:Fischmann, T.O.
Deposit date:2022-07-21
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.926 Å)
Cite:Preclinical characterization and clinical translation of pharmacodynamic markers for MK-5890: a human CD27 activating antibody for cancer immunotherapy.
J Immunother Cancer, 10, 2022
8V52
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BU of 8v52 by Molmil
Crystal structure of 2A10 Fab bound to Human TGF-beta3
Descriptor: 2A10 Fab Heavy Chain, 2A10 Fab Light chain, Transforming growth factor beta-3
Authors:Yin, J, Lupardus, P.J.
Deposit date:2023-11-30
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Isoform-selective TGF-beta 3 inhibition for systemic sclerosis.
Med, 5, 2024
8UDC
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BU of 8udc by Molmil
Crystal structure of TcPINK1 in complex with CYC116
Descriptor: (4P)-4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin-4-yl)phenyl]pyrimidin-2-amine, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
Authors:Veyron, S, Rasool, S, Trempe, J.F.
Deposit date:2023-09-28
Release date:2024-04-17
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Characterization of a small-molecule inhibitor of PINK1, a precursor tool compound for the study of Parkinson's disease
To Be Published
5X94
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BU of 5x94 by Molmil
Crystal structure of SHP2_SH2-CagA EPIYA_D peptide complex
Descriptor: Cag pathogenicity island protein, Tyrosine-protein phosphatase non-receptor type 11
Authors:Senda, M, Senda, T.
Deposit date:2017-03-05
Release date:2017-09-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Differential Mechanisms for SHP2 Binding and Activation Are Exploited by Geographically Distinct Helicobacter pylori CagA Oncoproteins.
Cell Rep, 20, 2017
6IS2
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BU of 6is2 by Molmil
Crystal Structure of Staphylococcus aureus response regulator ArlR receiver domain in complex with Mg
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, IMIDAZOLE, MAGNESIUM ION, ...
Authors:Wen, Y, Ouyang, Z.
Deposit date:2018-11-15
Release date:2019-10-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.591 Å)
Cite:Deciphering the activation and recognition mechanisms of Staphylococcus aureus response regulator ArlR.
Nucleic Acids Res., 47, 2019
6LAP
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BU of 6lap by Molmil
Cryo-EM structure of echovirus 11 A-particle at pH 7.4
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
Authors:Liu, S, Gao, F.G.
Deposit date:2019-11-13
Release date:2020-10-07
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.49 Å)
Cite:Molecular and structural basis of Echovirus 11 infection by using the dual-receptor system of CD55 and FcRn.
Chin.Sci.Bull., 2020
6LCX
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BU of 6lcx by Molmil
Crosslinked alpha(Ni)-beta(Ni) human hemoglobin A in the T quaternary structure at 95 K: Light
Descriptor: BUT-2-ENEDIAL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A.
Deposit date:2019-11-20
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Direct observation of ligand migration within human hemoglobin at work.
Proc.Natl.Acad.Sci.USA, 117, 2020
6I19
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BU of 6i19 by Molmil
Crystal structure of Chlamydomonas reinhardtii thioredoxin h1
Descriptor: Thioredoxin H-type
Authors:Lemaire, S.D, Tedesco, D, Crozet, P, Michelet, L, Fermani, S, Zaffagnini, M, Henri, J.
Deposit date:2018-10-27
Release date:2018-12-05
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.378 Å)
Cite:Crystal Structure of Chloroplastic Thioredoxin f2 fromChlamydomonas reinhardtiiReveals Distinct Surface Properties.
Antioxidants (Basel), 7, 2018
6I3I
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BU of 6i3i by Molmil
Crystal structure of reactive center loop (RCL) cleaved angiotensinogen
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensinogen
Authors:Yan, Y, Read, R.J.
Deposit date:2018-11-06
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Structural basis for the specificity of renin-mediated angiotensinogen cleavage.
J. Biol. Chem., 294, 2019
5XED
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BU of 5xed by Molmil
Heterodimer constructed from M61A PA cyt c551-HT cyt c552 and HT cyt c552-PA cyt c551 chimeric proteins
Descriptor: Cytochrome c-551,Cytochrome c-552, Cytochrome c-552,Cytochrome c-551, HEME C
Authors:Zhang, M, Nakanishi, T, Yamanaka, M, Nagao, S, Yanagisawa, S, Shomura, Y, Shibata, N, Ogura, T, Higuchi, Y, Hirota, S.
Deposit date:2017-04-04
Release date:2017-08-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Rational Design of Domain-Swapping-Based c-Type Cytochrome Heterodimers by Using Chimeric Proteins.
Chembiochem, 18, 2017
5X2R
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BU of 5x2r by Molmil
Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin after Adding 10 mM phosphate pH 6.9.
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Ohki, M, Park, S.-Y.
Deposit date:2017-02-02
Release date:2017-09-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Direct observation of conformational population shifts in crystalline human hemoglobin.
J. Biol. Chem., 292, 2017
8V2Z
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BU of 8v2z by Molmil
Cryo-EM Structure of Smooth Muscle Gamma Actin (ACTG2) Mutant R257C
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, gamma-enteric smooth muscle, ...
Authors:Palmer, N.J, Carman, P.J, Ceron, R.H, Dominguez, R.
Deposit date:2023-11-25
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:Smooth Muscle Gamma Actin (ACTG2) Filament Mutant R257C
To Be Published

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